CAS 20518-17-6 | 1H-Pyrazole, 1-(4-methylphenyl)- | CAS Number 20518-17-6

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20518-17-6 | 1H-Pyrazole, 1-(4-methylphenyl)-

CAS No: 20518-17-6 Catalog No: AG0029X9 MDL No:MFCD00748760

Product Description

Catalog Number:

AG0029X9

Chemical Name:

1H-Pyrazole, 1-(4-methylphenyl)-

CAS Number:

20518-17-6

Molecular Formula:

C10H10N2

Molecular Weight:

158.1998

MDL Number:

MFCD00748760

IUPAC Name:

1-(4-methylphenyl)pyrazole

InChI:

InChI=1S/C10H10N2/c1-9-3-5-10(6-4-9)12-8-2-7-11-12/h2-8H,1H3

InChI Key:

XJYIPDKSWROWBM-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)n1cccn1

Properties

Complexity:

139

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:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501