CAS 10199-67-4 | 1H-Pyrazole, 1-(phenylmethyl)- | CAS Number 10199-67-4

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10199-67-4 | 1H-Pyrazole, 1-(phenylmethyl)-

CAS No: 10199-67-4 Catalog No: AG00066U MDL No:MFCD00462231

Product Description

Catalog Number:

AG00066U

Chemical Name:

1H-Pyrazole, 1-(phenylmethyl)-

CAS Number:

10199-67-4

Molecular Formula:

C10H10N2

Molecular Weight:

158.1998

MDL Number:

MFCD00462231

IUPAC Name:

1-benzylpyrazole

InChI:

InChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2

InChI Key:

AKQAJYLKBCWJBV-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)Cn1cccn1

Properties

Complexity:

130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.204g/mol

Monoisotopic Mass:

158.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
A second monoclinic polymorph of {bis-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action.	Acta crystallographica. Section E, Structure reports online 20110701
{Bis[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action.	Acta crystallographica. Section E, Structure reports online 20100501
Synthesis, nematicidal and antimicrobial properties of Bis-[4-methoxy-3-[3-(4-fluorophenyl)-6-(4-methylphenyl)-2(aryl)-tetrahydro-2H-pyrazolo[3,4-d]thiazol-5-yl]phenyl]methanes.	Chemical & pharmaceutical bulletin 20090701
Phosphorescent iridium(III) complexes with nonconjugated cyclometalated ligands.	Chemistry (Weinheim an der Bergstrasse, Germany) 20080101