1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile

C10H5Cl2N3 — CID 82292110

IUPAC1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C10H5Cl2N3/c11-8-1-2-9(12)10(3-8)15-6-7(4-13)5-14-15/h1-3,5-6H
InChIKeySTLLZIUKUACUJT-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.05
Rot. Bonds1

About 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile

1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile (PubChem CID 82292110) has the molecular formula C10H5Cl2N3 and a molecular weight of 238.08 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
PubChem CID82292110
Molecular FormulaC10H5Cl2N3
Molecular Weight238.08 g/mol
Exact Mass236.99
IUPAC Name1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C10H5Cl2N3/c11-8-1-2-9(12)10(3-8)15-6-7(4-13)5-14-15/h1-3,5-6H
InChIKeySTLLZIUKUACUJT-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile (CID 82292110) is 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile?
The InChIKey is STLLZIUKUACUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3/c11-8-1-2-9(12)10(3-8)15-6-7(4-13)5-14-15/h1-3,5-6H.
What are the key properties of 1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile?
1-(2,5-dichlorophenyl)pyrazole-4-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-(2,5-dichlorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 82292110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).