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5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C24H29N3O — CID 157414994

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)cc1
InChIInChI=1S/C24H29N3O/c1-16-5-7-17(8-6-16)11-14-20-22(23(25)28)21(27-26-20)15-18-9-12-19(13-10-18)24(2,3)4/h5-10,12-13H,11,14-15H2,1-4H3,(H2,25,28)(H,26,27)
InChIKeyMCDJPLHGSFLEDR-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.49
Rot. Bonds6

About 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 157414994) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID157414994
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)cc1
InChIInChI=1S/C24H29N3O/c1-16-5-7-17(8-6-16)11-14-20-22(23(25)28)21(27-26-20)15-18-9-12-19(13-10-18)24(2,3)4/h5-10,12-13H,11,14-15H2,1-4H3,(H2,25,28)(H,26,27)
InChIKeyMCDJPLHGSFLEDR-UHFFFAOYSA-N
XLogP4.49
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 157414994) is 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CCc2n[nH]c(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MCDJPLHGSFLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-16-5-7-17(8-6-16)11-14-20-22(23(25)28)21(27-26-20)15-18-9-12-19(13-10-18)24(2,3)4/h5-10,12-13H,11,14-15H2,1-4H3,(H2,25,28)(H,26,27).
What are the key properties of 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157414994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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