3-Amino-1-methylpyrazole-4-carbonitrile - CAS 21230-50-2

Catalog:	BB016718
Product Name:	3-Amino-1-methylpyrazole-4-carbonitrile
CAS:	21230-50-2
Synonyms:	3-amino-1-methyl-4-pyrazolecarbonitrile; 3-amino-1-methylpyrazole-4-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	3-amino-1-methylpyrazole-4-carbonitrile
Description:	3-Amino-1-methylpyrazole-4-carbonitrile (CAS# 21230-50-2) is a useful research chemical.
Molecular Weight:	122.13
Molecular Formula:	C5H6N4
Canonical SMILES:	CN1C=C(C(=N1)N)C#N
InChI:	InChI=1S/C5H6N4/c1-9-3-4(2-6)5(7)8-9/h3H,1H3,(H2,7,8)
InChI Key:	FBQOIRKIQMQJNS-UHFFFAOYSA-N
Boiling Point:	342.376 °C at 760 mmHg
Density:	1.321 g/cm³
MDL:	MFCD11040163
LogP:	0.45518

Publication Number	Title	Priority Date
CA-3055805-A1	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibititors	20180921
US-2020095239-A1	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors	20180921
TW-202024056-A	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as ccr6 inhibitors	20180921
CN-112672791-A	N-substituted dioxocyclobutenylamino-3-hydroxy-pyridinecarboxamides useful as CCR6 inhibitors	20180921
US-10975065-B2	N-substituted-dioxocyclobutenylamino-3-hydroxy-picolinamides useful as CCR6 inhibitors	20180921

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Related Functional Groups

Nitrogen Compounds

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[1243387-55-4]
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[55877-31-1]
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[618-40-6]
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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.059246208
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.059246208
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2