1-Isopropyl-1H-pyrazole-3-acetic Acid - CAS 1260658-97-6

Catalog:	BB006318
Product Name:	1-Isopropyl-1H-pyrazole-3-acetic Acid
CAS:	1260658-97-6
Synonyms:	2-(1-propan-2-yl-3-pyrazolyl)acetic acid; 2-(1-propan-2-ylpyrazol-3-yl)acetic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(1-propan-2-ylpyrazol-3-yl)acetic acid
Description:	1-Isopropyl-1H-pyrazole-3-acetic Acid (CAS# 1260658-97-6) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C8H12N2O2
Canonical SMILES:	CC(C)N1C=CC(=N1)CC(=O)O
InChI:	InChI=1S/C8H12N2O2/c1-6(2)10-4-3-7(9-10)5-8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key:	ZFOZATJOXAYSNN-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020095177-A1	Inhibitors of human immunodeficiency virus replication	20181105
EP-3877387-A1	Inhibitors of human immunodeficiency virus replication	20181105
WO-2019198024-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
EP-3774775-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411
US-2021024503-A1	4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication	20180411

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.08987763
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4