4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide

C14H14N4O — CID 118526979

IUPAC4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C14H14N4O/c15-9-13-10-17-18(11-13)14(19)16-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-8H2,(H,16,19)
InChIKeyCXMGXIYDUADQNL-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.95
Rot. Bonds4

About 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide

4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide (PubChem CID 118526979) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide
PubChem CID118526979
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C14H14N4O/c15-9-13-10-17-18(11-13)14(19)16-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-8H2,(H,16,19)
InChIKeyCXMGXIYDUADQNL-UHFFFAOYSA-N
XLogP1.95
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide?
The IUPAC name of 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide (CID 118526979) is 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide is N#Cc1cnn(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide?
The InChIKey is CXMGXIYDUADQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-9-13-10-17-18(11-13)14(19)16-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-8H2,(H,16,19).
What are the key properties of 4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide?
4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.95, 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-phenylpropyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).