1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide

C29H34FN3O — CID 21310423

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)nn2Cc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C29H34FN3O/c1-18-6-10-21(11-7-18)25-15-24(32-33(25)17-20-9-8-19(2)23(30)14-20)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
InChIKeyQSWYCMBSAUYYJX-ACSDJOOWSA-N
MW459.61 g/mol
LogP6.30
Rot. Bonds5

About 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide

1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide (PubChem CID 21310423) has the molecular formula C29H34FN3O and a molecular weight of 459.61 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide
PubChem CID21310423
Molecular FormulaC29H34FN3O
Molecular Weight459.61 g/mol
Exact Mass459.27
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)nn2Cc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C29H34FN3O/c1-18-6-10-21(11-7-18)25-15-24(32-33(25)17-20-9-8-19(2)23(30)14-20)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
InChIKeyQSWYCMBSAUYYJX-ACSDJOOWSA-N
XLogP6.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.61
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tedalinab
CID 67029278
5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-((1S,2S,4R)-1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide
CID 3081355
5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1H-pyrazole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide
CID 44208932
(2R,4R)-9-[(4-fluorophenyl)methyl]-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720555
Ab-chfupyca
CID 122213879
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]-1H-pyrazole-3-carboxamide
CID 21310426
N-[(3S)-1-(cyclobutylamino)-5-(4-fluorophenyl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 129226887
1-[[4-[(6-aminohexylamino)methyl]phenyl]methyl]-5-(4-chloro-3-methylphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide
CID 56679890
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide
CID 73293897
5-(4-chloro-3-methylphenyl)-1-phenyl-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide
CID 73293898
N-{2-[2-(3,4-Dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-2-(3-fluorophenyl)acetamide
CID 91892839
(2R,4R)-9-(2,4-difluorophenyl)-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720571

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide (CID 21310423) is 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC3C(C)(C)C4CC[C@@]3(C)C4)nn2Cc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide?
The InChIKey is QSWYCMBSAUYYJX-ACSDJOOWSA-N. The full InChI is InChI=1S/C29H34FN3O/c1-18-6-10-21(11-7-18)25-15-24(32-33(25)17-20-9-8-19(2)23(30)14-20)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1.
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide?
1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide has a molecular weight of 459.61 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-5-(4-methylphenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide is sourced from PubChem (CID 21310423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).