4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide

C24H32F3N3O — CID 67068924

IUPAC4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)N1CC(c3ccccc3)C(CCCC(F)(F)F)=N1)C2
InChIInChI=1S/C24H32F3N3O/c1-22(2)17-11-13-23(22,3)20(14-17)28-21(31)30-15-18(16-8-5-4-6-9-16)19(29-30)10-7-12-24(25,26)27/h4-6,8-9,17-18,20H,7,10-15H2,1-3H3,(H,28,31)
InChIKeyIGKLKPSBNMTZGP-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.10
Rot. Bonds5

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

4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 67068924) has the molecular formula C24H32F3N3O and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID67068924
Molecular FormulaC24H32F3N3O
Molecular Weight435.53 g/mol
Exact Mass435.25
IUPAC Name4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)N1CC(c3ccccc3)C(CCCC(F)(F)F)=N1)C2
InChIInChI=1S/C24H32F3N3O/c1-22(2)17-11-13-23(22,3)20(14-17)28-21(31)30-15-18(16-8-5-4-6-9-16)19(29-30)10-7-12-24(25,26)27/h4-6,8-9,17-18,20H,7,10-15H2,1-3H3,(H,28,31)
InChIKeyIGKLKPSBNMTZGP-UHFFFAOYSA-N
XLogP6.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide with MolForge

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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
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
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
5,5-dimethyl-4-phenyl-3-(3,3,3-trifluoropropyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-4H-pyrazole-1-carboxamide
CID 59864963
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-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydropyrazole-2-carboxamide
CID 67068884
1-(3-phenylprop-2-ynyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 98311818
5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carbonyl chloride
CID 58899460
N-(2,2-diphenylpropyl)-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 24863614
N-[(7S)-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]-4-phenyl-5-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydropyrazole-2-carboxamide
CID 71189181
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 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) is 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)N1CC(c3ccccc3)C(CCCC(F)(F)F)=N1)C2.
What is the InChIKey of 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is IGKLKPSBNMTZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O/c1-22(2)17-11-13-23(22,3)20(14-17)28-21(31)30-15-18(16-8-5-4-6-9-16)19(29-30)10-7-12-24(25,26)27/h4-6,8-9,17-18,20H,7,10-15H2,1-3H3,(H,28,31).
What are the key properties of 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide?
4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(4,4,4-trifluorobutyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 67068924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).