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

C30H35N3O — CID 24863614

IUPACN-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C30H35N3O/c1-3-4-8-21-28-27(24-15-9-5-10-16-24)22-33(32-28)29(34)31-23-30(2,25-17-11-6-12-18-25)26-19-13-7-14-20-26/h5-7,9-20,27H,3-4,8,21-23H2,1-2H3,(H,31,34)
InChIKeyYVBXCEHFSATKTD-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.74
Rot. Bonds9

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

N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24863614) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID24863614
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC NameN-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C30H35N3O/c1-3-4-8-21-28-27(24-15-9-5-10-16-24)22-33(32-28)29(34)31-23-30(2,25-17-11-6-12-18-25)26-19-13-7-14-20-26/h5-7,9-20,27H,3-4,8,21-23H2,1-2H3,(H,31,34)
InChIKeyYVBXCEHFSATKTD-UHFFFAOYSA-N
XLogP6.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.74
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

5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 24863230
5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 58899482
5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24862710
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
5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 67068884
5-butyl-4-(4-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrazole-2-carboxamide
CID 24863874
(3-chloro-1-benzothiophen-2-yl)-(5-pentyl-4-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 24862714
3,5,5-trimethyl-2-(5-pentyl-4-phenyl-3,4-dihydropyrazol-2-yl)hexanal
CID 87257337
4-(1-benzothiophen-3-yl)-5-butyl-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24863965
5-butyl-4-(2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24863782

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 24863614) is N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is CCCCCC1=NN(C(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is YVBXCEHFSATKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-3-4-8-21-28-27(24-15-9-5-10-16-24)22-33(32-28)29(34)31-23-30(2,25-17-11-6-12-18-25)26-19-13-7-14-20-26/h5-7,9-20,27H,3-4,8,21-23H2,1-2H3,(H,31,34).
What are the key properties of N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 6.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24863614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).