5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile

C10H7ClN4 — CID 734496

IUPAC5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C10H7ClN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKeyVRKRSWGTAMOYEV-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.98
Rot. Bonds1

About 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile

5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile (PubChem CID 734496) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile
PubChem CID734496
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C10H7ClN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKeyVRKRSWGTAMOYEV-UHFFFAOYSA-N
XLogP1.98
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile (CID 734496) is 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile?
The InChIKey is VRKRSWGTAMOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2.
What are the key properties of 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile?
5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile has a molecular weight of 218.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 734496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).