3,4-Dimethyl-1H-pyrazol-5-ol - CAS 145092-15-5

Catalog:	BB009876
Product Name:	3,4-Dimethyl-1H-pyrazol-5-ol
CAS:	145092-15-5
Synonyms:	4,5-dimethyl-1,2-dihydropyrazol-3-one; 4,5-dimethyl-1,2-dihydropyrazol-3-one

Technical Data

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Computed Properties

IUPAC Name:	4,5-dimethyl-1,2-dihydropyrazol-3-one
Description:	3,4-Dimethyl-1H-pyrazol-5-ol (CAS# 145092-15-5 ) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CC1=C(NNC1=O)C
InChI:	InChI=1S/C5H8N2O/c1-3-4(2)6-7-5(3)8/h1-2H3,(H2,6,7,8)
InChI Key:	CMTNHTJUNZPFMW-UHFFFAOYSA-N
Appearance:	White to yellow solid
LogP:	0.00000

Publication Number	Title	Priority Date
WO-2015050472-A1	Fused indole compounds and methods of using same	20131002
US-2014227780-A1	Method for producing megakaryocytes and/or platelets from pluripotent stem cells	20111003
US-2012128640-A1	Heterocyclic compounds and expansion agents for hematopoietic stem cells	20090604
US-2013245255-A1	Heterocyclic compounds and expansion agents for hematopoietic stem cells	20090604
WO-2010034737-A1	Pyrazole compounds for controlling invertebrate pests	20080924

PMID	Publication Date	Title	Journal
17168587	20061222	Tautomerism-dependent ring construction of N-heterocyclic compounds from the reactions of 1-alkynyl Fischer carbene complexes and substituted pyrazolinones	The Journal of organic chemistry

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.063662883
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5