4-Amino-1-isopropylpyrazole - CAS 97421-16-4

Name: 4-Amino-1-isopropylpyrazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB042049
Product Name:	4-Amino-1-isopropylpyrazole
CAS:	97421-16-4
Synonyms:	1-propan-2-yl-4-pyrazolamine; 1-propan-2-ylpyrazol-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-propan-2-ylpyrazol-4-amine
Description:	4-Amino-1-isopropylpyrazole (CAS# 97421-16-4) is a useful research chemical.
Molecular Weight:	125.17
Molecular Formula:	C6H11N3
Canonical SMILES:	CC(C)N1C=C(C=N1)N
InChI:	InChI=1S/C6H11N3/c1-5(2)9-4-6(7)3-8-9/h3-5H,7H2,1-2H3
InChI Key:	OEXNVHXUPNHOPP-UHFFFAOYSA-N
Boiling Point:	234.177 °C at 760 mmHg
Density:	1.129 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD08700622
LogP:	1.62740

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Related Functional Groups

Amines and Anilines

[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1550-50-1]C4H7F4N
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1824357-78-9]C12H15N3
2-(1-Benzyl-3-pyrazolyl)ethylamine
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[6397-33-7]C9H13NS
2-(Isopropylthio)aniline
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809
WO-2021027647-A1	Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof	20190809
WO-2020260871-A1	New compounds and methods	20190624
WO-2020249664-A1	Sulfonylurea derivatives and uses thereof	20190612
WO-2020249667-A1	Sulfonylurea derivatives and uses thereof	20190612

Complexity:	92.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.095297364
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.095297364
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3