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

C25H34F3N3O — CID 59864963

IUPAC5,5-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
SMILESCC1(C)C(c2ccccc2)C(CCC(F)(F)F)=NN1C(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C25H34F3N3O/c1-22(2)17-11-13-24(22,5)19(15-17)29-21(32)31-23(3,4)20(16-9-7-6-8-10-16)18(30-31)12-14-25(26,27)28/h6-10,17,19-20H,11-15H2,1-5H3,(H,29,32)/t17-,19-,20?,24-/m0/s1
InChIKeyCBEVKUOBYXPCQF-BEZDMBPWSA-N
MW449.56 g/mol
LogP6.49
Rot. Bonds4

About 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

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 (PubChem CID 59864963) has the molecular formula C25H34F3N3O and a molecular weight of 449.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5-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
PubChem CID59864963
Molecular FormulaC25H34F3N3O
Molecular Weight449.56 g/mol
Exact Mass449.27
IUPAC Name5,5-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
SMILESCC1(C)C(c2ccccc2)C(CCC(F)(F)F)=NN1C(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C25H34F3N3O/c1-22(2)17-11-13-24(22,5)19(15-17)29-21(32)31-23(3,4)20(16-9-7-6-8-10-16)18(30-31)12-14-25(26,27)28/h6-10,17,19-20H,11-15H2,1-5H3,(H,29,32)/t17-,19-,20?,24-/m0/s1
InChIKeyCBEVKUOBYXPCQF-BEZDMBPWSA-N
XLogP6.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-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
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
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
1-(3-phenylprop-2-ynyl)-3-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 98311818
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
CID 120607988
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
CID 81257647

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C(c2ccccc2)C(CCC(F)(F)F)=NN1C(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of 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?
The InChIKey is CBEVKUOBYXPCQF-BEZDMBPWSA-N. The full InChI is InChI=1S/C25H34F3N3O/c1-22(2)17-11-13-24(22,5)19(15-17)29-21(32)31-23(3,4)20(16-9-7-6-8-10-16)18(30-31)12-14-25(26,27)28/h6-10,17,19-20H,11-15H2,1-5H3,(H,29,32)/t17-,19-,20?,24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 449.56 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59864963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).