5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide

C23H29N3O — CID 24863230

IUPAC5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NC(C)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H29N3O/c1-3-4-7-16-22-21(20-14-10-6-11-15-20)17-26(25-22)23(27)24-18(2)19-12-8-5-9-13-19/h5-6,8-15,18,21H,3-4,7,16-17H2,1-2H3,(H,24,27)
InChIKeyQDBMRBWCVPGNAC-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.49
Rot. Bonds7

About 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide

5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24863230) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID24863230
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NC(C)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H29N3O/c1-3-4-7-16-22-21(20-14-10-6-11-15-20)17-26(25-22)23(27)24-18(2)19-12-8-5-9-13-19/h5-6,8-15,18,21H,3-4,7,16-17H2,1-2H3,(H,24,27)
InChIKeyQDBMRBWCVPGNAC-UHFFFAOYSA-N
XLogP5.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 58899482
5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71189214
5-pentyl-4-phenyl-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 157413579
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
5-butyl-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 142696305
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4295925
2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109131234
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
4-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide (CID 24863230) is 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide is CCCCCC1=NN(C(=O)NC(C)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is QDBMRBWCVPGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-4-7-16-22-21(20-14-10-6-11-15-20)17-26(25-22)23(27)24-18(2)19-12-8-5-9-13-19/h5-6,8-15,18,21H,3-4,7,16-17H2,1-2H3,(H,24,27).
What are the key properties of 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24863230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).