2-(1-Pyrazolyl)benzonitrile - CAS 25775-03-5

Catalog:	BB019028
Product Name:	2-(1-Pyrazolyl)benzonitrile
CAS:	25775-03-5
Synonyms:	2-(1-pyrazolyl)benzonitrile; 2-pyrazol-1-ylbenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-pyrazol-1-ylbenzonitrile
Description:	2-(1-Pyrazolyl)benzonitrile (CAS# 25775-03-5) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C10H7N3
Canonical SMILES:	C1=CC=C(C(=C1)C#N)N2C=CC=N2
InChI:	InChI=1S/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H
InChI Key:	FMURBLXVPMFBMG-UHFFFAOYSA-N
Boiling Point:	332.6 °C at 760 mmHg
Density:	1.13 g/cm³
Appearance:	Yellow liquid
MDL:	MFCD07772802
LogP:	1.74398

Publication Number	Title	Priority Date
US-2020131154-A1	Pyrazolyl compounds and methods of use thereof	20181026
WO-2020087024-A1	Pyrazolyl compounds and methods of use thereof	20181026
CN-113226321-A	Pyrazolyl compounds and methods of use thereof	20181026
EP-3870177-A1	Pyrazolyl compounds and methods of use thereof	20181026
US-11053221-B2	Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity	20181026

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Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.063997236
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.063997236
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6