5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide

C20H21N3O — CID 20861279

IUPAC5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O/c1-16-15-19(23(22-16)18-12-6-3-7-13-18)20(24)21-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,21,24)
InChIKeyHFGNBURABCRXRD-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.54
Rot. Bonds6

About 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide

5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide (PubChem CID 20861279) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
PubChem CID20861279
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O/c1-16-15-19(23(22-16)18-12-6-3-7-13-18)20(24)21-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,21,24)
InChIKeyHFGNBURABCRXRD-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.54
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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Related Compounds

N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861310
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692840
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830947
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 175777978
2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84576023
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide (CID 20861279) is 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NCCCc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide?
The InChIKey is HFGNBURABCRXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-16-15-19(23(22-16)18-12-6-3-7-13-18)20(24)21-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,21,24).
What are the key properties of 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide?
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 20861279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).