4-Amino-1-(methoxymethyl)pyrazole - CAS 1001500-80-6

Catalog:	BB000108
Product Name:	4-Amino-1-(methoxymethyl)pyrazole
CAS:	1001500-80-6
Synonyms:	1-(methoxymethyl)-4-pyrazolamine; 1-(methoxymethyl)pyrazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-(methoxymethyl)pyrazol-4-amine
Description:	4-Amino-1-(methoxymethyl)pyrazole (CAS# 1001500-80-6) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	COCN1C=C(C=N1)N
InChI:	InChI=1S/C5H9N3O/c1-9-4-8-3-5(6)2-7-8/h2-3H,4,6H2,1H3
InChI Key:	MIBJLZRVWQFOMK-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD04969823
LogP:	0.65040

Publication Number	Title	Priority Date
AU-2018391675-A1	Sulphonyl urea derivatives as NLRP3 inflammasome modulators	20171218
TW-201930291-A	Sulfonamide derivative	20171218
WO-2019121691-A1	Sulphonyl urea derivatives as nlrp3 inflammasome modulators	20171218
BR-112020011779-A2	sulfonyl urea derivatives as inflammassone modulators nlrp3	20171218
CN-111954670-A	Sulfonylurea derivatives as NLRP3 inflammasome modulators	20171218

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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

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.074561919
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6