1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile

C10H5Cl2N3 — CID 116818304

IUPAC1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H5Cl2N3/c11-8-2-1-3-9(10(8)12)15-5-4-7(6-13)14-15/h1-5H
InChIKeyLNGQYJZXMXEQIL-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.05
Rot. Bonds1

About 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile

1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile (PubChem CID 116818304) has the molecular formula C10H5Cl2N3 and a molecular weight of 238.08 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile
PubChem CID116818304
Molecular FormulaC10H5Cl2N3
Molecular Weight238.08 g/mol
Exact Mass236.99
IUPAC Name1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile
SMILESN#Cc1ccn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H5Cl2N3/c11-8-2-1-3-9(10(8)12)15-5-4-7(6-13)14-15/h1-5H
InChIKeyLNGQYJZXMXEQIL-UHFFFAOYSA-N
XLogP3.05
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)pyrazol-3-amine
CID 70210404
1-(2-fluorophenyl)pyrazole-3-carbonitrile
CID 116818280
4-bromo-1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile
CID 116818889
1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
CID 95564348
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 67446980
1-(3-chloro-4-methoxyphenyl)pyrazole-3-carbonitrile
CID 116818289
1-(4-ethylphenyl)pyrazole-3-carbonitrile
CID 116818277
1-imidazo[1,2-a]pyridin-2-ylpyrazole-3-carbonitrile
CID 140748755
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017251
3-[3-[2-(3-chlorophenyl)ethynyl]pyrazol-1-yl]-5-fluorobenzonitrile
CID 130205491
2-bromo-6-(3-methylpyrazol-1-yl)benzonitrile
CID 114881485
1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82419058

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile (CID 116818304) is 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile is N#Cc1ccn(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile?
The InChIKey is LNGQYJZXMXEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3/c11-8-2-1-3-9(10(8)12)15-5-4-7(6-13)14-15/h1-5H.
What are the key properties of 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile?
1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile has a molecular weight of 238.08 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 116818304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).