2-Chloro-4-(3-pyrazolyl)benzonitrile - CAS 1297537-37-1

Catalog:	BB007016
Product Name:	2-Chloro-4-(3-pyrazolyl)benzonitrile
CAS:	1297537-37-1
Synonyms:	2-chloro-4-(1H-pyrazol-5-yl)benzonitrile; 2-chloro-4-(1H-pyrazol-5-yl)benzonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-(1H-pyrazol-5-yl)benzonitrile
Description:	2-Chloro-4-(3-pyrazolyl)benzonitrile (CAS# 1297537-37-1) is a useful research chemical.
Molecular Weight:	203.63
Molecular Formula:	C10H6ClN3
Canonical SMILES:	C1=CC(=C(C=C1C2=CC=NN2)Cl)C#N
InChI:	InChI=1S/C10H6ClN3/c11-9-5-7(1-2-8(9)6-12)10-3-4-13-14-10/h1-5H,(H,13,14)
InChI Key:	BCINLNFBTLIGBU-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature

Publication Number	Title	Priority Date
CN-110590668-A	Preparation method of N- [ (1S) -2- [3- (3-chloro-4-cyanophenyl) -1H-pyrazol-1-yl ] -1-methylethyl ] -5- (1-hydroxyethyl) -1H-pyrazole-3-formamide	20190717
CN-111620821-A	Substituted pyrazole compounds, compositions containing the same and uses thereof	20190227
WO-2020173457-A1	Substituted pyrazole compounds, compositions containing same, and use thereof	20190227
CN-110669049-A	Novel androgen receptor inhibitor and synthesis method and application thereof	20180702
WO-2020007273-A1	Novel androgen receptor inhibitor and synthesis method and application thereof	20180702

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
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[1170836-25-5]
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[2006278-12-0]
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[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.0250249
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.0250249
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2