3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide

C26H33N3O — CID 2747306

IUPAC3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H33N3O/c1-18-9-8-10-19(15-18)17-29-22(16-23(28-29)26(5,6)7)24(30)27-21-13-11-20(12-14-21)25(2,3)4/h8-16H,17H2,1-7H3,(H,27,30)
InChIKeyAEQWOULEUMKMFC-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.09
Rot. Bonds4

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

3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 2747306) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID2747306
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H33N3O/c1-18-9-8-10-19(15-18)17-29-22(16-23(28-29)26(5,6)7)24(30)27-21-13-11-20(12-14-21)25(2,3)4/h8-16H,17H2,1-7H3,(H,27,30)
InChIKeyAEQWOULEUMKMFC-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 ≤ 500403.57
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
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1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
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N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pent-4-en-1-yl)-1H-indazole-3-carboxamide
CID 162705324
(S)-3-(tert-Butyl)-N-(1-((cyanomethyl)amino)-1-oxo-3-(m-tolyl)propan-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 44224136
N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
1-methyl-N-(1-naphthyl)-3-propyl-1H-pyrazole-5-carboxamide
CID 850765
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
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CID 2744532

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide (CID 2747306) is 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide is Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is AEQWOULEUMKMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-18-9-8-10-19(15-18)17-29-22(16-23(28-29)26(5,6)7)24(30)27-21-13-11-20(12-14-21)25(2,3)4/h8-16H,17H2,1-7H3,(H,27,30).
What are the key properties of 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 403.57 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 3-tert-butyl-N-(4-tert-butylphenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 2747306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).