5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide

C25H37N3O — CID 67068884

IUPAC5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NC2C(C)(C)C3CC[C@@]2(C)C3)CC1c1ccccc1
InChIInChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-24(2,3)19-14-15-25(22,4)16-19/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19?,20?,22?,25-/m0/s1
InChIKeyCWQHHHPHKJLFRT-FMRITZAMSA-N
MW395.59 g/mol
LogP5.95
Rot. Bonds6

About 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide

5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 67068884) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID67068884
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)NC2C(C)(C)C3CC[C@@]2(C)C3)CC1c1ccccc1
InChIInChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-24(2,3)19-14-15-25(22,4)16-19/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19?,20?,22?,25-/m0/s1
InChIKeyCWQHHHPHKJLFRT-FMRITZAMSA-N
XLogP5.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.95
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-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 157413579
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-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
5-pentyl-4-phenyl-N-(1-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 24863230
N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 24863614
N-(1-naphthalen-1-ylethyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 58899482
4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide
CID 67068924
5-butyl-4-pyridin-3-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 58899503
5-butyl-4-pyridin-3-yl-N-[(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 24863951
(3-chloro-1-benzothiophen-2-yl)-(5-pentyl-4-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 24862714
5-butyl-4-(4-chlorophenyl)-N-[(2R,3R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 24863862
5-butyl-4-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)-3,4-dihydropyrazole-2-carboxamide
CID 24862710

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide (CID 67068884) is 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide is CCCCCC1=NN(C(=O)NC2C(C)(C)C3CC[C@@]2(C)C3)CC1c1ccccc1.
What is the InChIKey of 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is CWQHHHPHKJLFRT-FMRITZAMSA-N. The full InChI is InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-24(2,3)19-14-15-25(22,4)16-19/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19?,20?,22?,25-/m0/s1.
What are the key properties of 5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide?
5-pentyl-4-phenyl-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 395.59 g/mol, XLogP of 5.95, 6 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-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 67068884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).