N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C26H25N3O — CID 7914296

IUPACN-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O/c1-26(2,3)20-14-16-21(17-15-20)27-25(30)23-18-29(22-12-8-5-9-13-22)28-24(23)19-10-6-4-7-11-19/h4-18H,1-3H3,(H,27,30)
InChIKeyFLZMPHNLPCFCNI-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.09
Rot. Bonds4

About N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 7914296) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID7914296
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H25N3O/c1-26(2,3)20-14-16-21(17-15-20)27-25(30)23-18-29(22-12-8-5-9-13-22)28-24(23)19-10-6-4-7-11-19/h4-18H,1-3H3,(H,27,30)
InChIKeyFLZMPHNLPCFCNI-UHFFFAOYSA-N
XLogP6.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 178135055
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 7914296) is N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is FLZMPHNLPCFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-26(2,3)20-14-16-21(17-15-20)27-25(30)23-18-29(22-12-8-5-9-13-22)28-24(23)19-10-6-4-7-11-19/h4-18H,1-3H3,(H,27,30).
What are the key properties of N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 7914296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).