3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide

C23H27N3O — CID 93014229

IUPAC3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1C)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16(17-9-7-6-8-10-17)24-22(27)21-15-20(25-26(21)5)18-11-13-19(14-12-18)23(2,3)4/h6-16H,1-5H3,(H,24,27)/t16-/m1/s1
InChIKeyUAZDEIKDURCPRS-MRXNPFEDSA-N
MW361.49 g/mol
LogP4.88
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide

3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide (PubChem CID 93014229) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
PubChem CID93014229
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1C)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16(17-9-7-6-8-10-17)24-22(27)21-15-20(25-26(21)5)18-11-13-19(14-12-18)23(2,3)4/h6-16H,1-5H3,(H,24,27)/t16-/m1/s1
InChIKeyUAZDEIKDURCPRS-MRXNPFEDSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
N-[(1R)-1-[4-(diaminomethylideneamino)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155537379
5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009070
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 172630970
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 58417388
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268
3-(4-tert-butylphenyl)-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 46105482
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide (CID 93014229) is 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1C)c1ccccc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide?
The InChIKey is UAZDEIKDURCPRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16(17-9-7-6-8-10-17)24-22(27)21-15-20(25-26(21)5)18-11-13-19(14-12-18)23(2,3)4/h6-16H,1-5H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide?
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 93014229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).