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

C14H17N3O — CID 118526406

IUPAC4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-12-10-16-17(11-12)14(18)15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,18)
InChIKeyWYWPYHXQJDPXGC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds4

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

4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide (PubChem CID 118526406) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide
PubChem CID118526406
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-12-10-16-17(11-12)14(18)15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,18)
InChIKeyWYWPYHXQJDPXGC-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide?
The IUPAC name of 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide (CID 118526406) is 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide is Cc1cnn(C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide?
The InChIKey is WYWPYHXQJDPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12-10-16-17(11-12)14(18)15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,18).
What are the key properties of 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide?
4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).