5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide

C28H29N3O — CID 143069836

IUPAC5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)(CC)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C28H29N3O/c1-4-24-25(27(32)29-28(3,5-2)22-17-11-7-12-18-22)26(21-15-9-6-10-16-21)30-31(24)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3,(H,29,32)
InChIKeySAHLWADDBOHDIU-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.16
Rot. Bonds7

About 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide

5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide (PubChem CID 143069836) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide
PubChem CID143069836
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)(CC)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C28H29N3O/c1-4-24-25(27(32)29-28(3,5-2)22-17-11-7-12-18-22)26(21-15-9-6-10-16-21)30-31(24)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3,(H,29,32)
InChIKeySAHLWADDBOHDIU-UHFFFAOYSA-N
XLogP6.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid
CID 3846496
1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide
CID 143069487
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
CID 3796959
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 25243551
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
2-methoxy-N-(2-phenylbutan-2-yl)benzamide
CID 86899366
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-diphenylpyrazole-4-carboxylic acid
CID 15288287

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide (CID 143069836) is 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NC(C)(CC)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide?
The InChIKey is SAHLWADDBOHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-4-24-25(27(32)29-28(3,5-2)22-17-11-7-12-18-22)26(21-15-9-6-10-16-21)30-31(24)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3,(H,29,32).
What are the key properties of 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide?
5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 143069836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).