4-Amino-1-propyl-1H-pyrazole - CAS 1006483-43-7

Catalog:	BB000284
Product Name:	4-Amino-1-propyl-1H-pyrazole
CAS:	1006483-43-7
Synonyms:	1-propyl-4-pyrazolamine; 1-propylpyrazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-propylpyrazol-4-amine
Description:	4-Amino-1-propyl-1H-pyrazole (CAS# 1006483-43-7) is a useful research chemical.
Molecular Weight:	125.17
Molecular Formula:	C6H11N3
Canonical SMILES:	CCCN1C=C(C=N1)N
InChI:	InChI=1S/C6H11N3/c1-2-3-9-5-6(7)4-8-9/h4-5H,2-3,7H2,1H3
InChI Key:	DMDDBNVQWLCYMJ-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD04970183
LogP:	1.45650

Publication Number	Title	Priority Date
WO-2020119819-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
TW-202039474-A	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
CN-113227074-A	Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods	20181214
EP-3877381-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
AU-2018236672-A1	Pyrrolotriazine derivatives as kinase inhibitor	20170317

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	84.4
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:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4