N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C24H35N3O — CID 71189214

IUPACN-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)N[C@@]2(C)C3CCC2(C)CC3)CC1c1ccccc1
InChIInChI=1S/C24H35N3O/c1-4-5-7-12-21-20(18-10-8-6-9-11-18)17-27(26-21)22(28)25-24(3)19-13-15-23(24,2)16-14-19/h6,8-11,19-20H,4-5,7,12-17H2,1-3H3,(H,25,28)/t19?,20?,23?,24-/m0/s1
InChIKeySWHYKLGDIHJLRU-RRTRMPBKSA-N
MW381.56 g/mol
LogP5.70
Rot. Bonds6

About N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71189214) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID71189214
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)N[C@@]2(C)C3CCC2(C)CC3)CC1c1ccccc1
InChIInChI=1S/C24H35N3O/c1-4-5-7-12-21-20(18-10-8-6-9-11-18)17-27(26-21)22(28)25-24(3)19-13-15-23(24,2)16-14-19/h6,8-11,19-20H,4-5,7,12-17H2,1-3H3,(H,25,28)/t19?,20?,23?,24-/m0/s1
InChIKeySWHYKLGDIHJLRU-RRTRMPBKSA-N
XLogP5.70
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 71189214) is N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is CCCCCC1=NN(C(=O)N[C@@]2(C)C3CCC2(C)CC3)CC1c1ccccc1.
What is the InChIKey of N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is SWHYKLGDIHJLRU-RRTRMPBKSA-N. The full InChI is InChI=1S/C24H35N3O/c1-4-5-7-12-21-20(18-10-8-6-9-11-18)17-27(26-21)22(28)25-24(3)19-13-15-23(24,2)16-14-19/h6,8-11,19-20H,4-5,7,12-17H2,1-3H3,(H,25,28)/t19?,20?,23?,24-/m0/s1.
What are the key properties of N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 381.56 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71189214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).