4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide

C20H16N4O — CID 24981322

IUPAC4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O/c21-13-14-6-8-16(9-7-14)20(25)22-19-12-18(15-10-11-15)23-24(19)17-4-2-1-3-5-17/h1-9,12,15H,10-11H2,(H,22,25)
InChIKeyQDFQRKJVJPVSEO-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.87
Rot. Bonds4

About 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide

4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide (PubChem CID 24981322) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
PubChem CID24981322
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O/c21-13-14-6-8-16(9-7-14)20(25)22-19-12-18(15-10-11-15)23-24(19)17-4-2-1-3-5-17/h1-9,12,15H,10-11H2,(H,22,25)
InChIKeyQDFQRKJVJPVSEO-UHFFFAOYSA-N
XLogP3.87
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
The IUPAC name of 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide (CID 24981322) is 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide is N#Cc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
The InChIKey is QDFQRKJVJPVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-13-14-6-8-16(9-7-14)20(25)22-19-12-18(15-10-11-15)23-24(19)17-4-2-1-3-5-17/h1-9,12,15H,10-11H2,(H,22,25).
What are the key properties of 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide?
4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 24981322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).