CAS 20000-80-0 | 1H-Pyrazole-1-ethanol, 3,5-dimethyl- | CAS Number 20000-80-0

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20000-80-0 | 1H-Pyrazole-1-ethanol, 3,5-dimethyl-

CAS No: 20000-80-0 Catalog No: AG002CHW MDL No:MFCD00141692

Product Description

Catalog Number:

AG002CHW

Chemical Name:

1H-Pyrazole-1-ethanol, 3,5-dimethyl-

CAS Number:

20000-80-0

Molecular Formula:

C7H12N2O

Molecular Weight:

140.1830

MDL Number:

MFCD00141692

IUPAC Name:

2-(3,5-dimethylpyrazol-1-yl)ethanol

InChI:

InChI=1S/C7H12N2O/c1-6-5-7(2)9(8-6)3-4-10/h5,10H,3-4H2,1-2H3

InChI Key:

ZGJJEKYPEQXOBM-UHFFFAOYSA-N

SMILES:

Cc1cc(nn1CCO)C

NSC Number:

89811

Properties

Complexity:

108

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

140.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

140.186g/mol

Monoisotopic Mass:

140.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Noncovalent synthesis of hierarchical zinc phosphates from a single Zn(4)O(12)P(4) double-four-ring building block: dimensionality control through the choice of auxiliary ligands.	Chemistry (Weinheim an der Bergstrasse, Germany) 20100118
Synthesis of some novel azo derivatives of 3,5-dimethyl-1-(2-hydroxyethyl)pyrazole as potent analgesic agents.	Archiv der Pharmazie 20060501