N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide

C24H29N3O — CID 7289215

IUPACN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccc(C)cc1C
InChIInChI=1S/C24H29N3O/c1-7-19(6)25-24(28)23-14-21(20-10-9-16(3)17(4)13-20)26-27(23)22-11-8-15(2)12-18(22)5/h8-14,19H,7H2,1-6H3,(H,25,28)/t19-/m0/s1
InChIKeyPADLRIYUSCGMHK-IBGZPJMESA-N
MW375.52 g/mol
LogP5.30
Rot. Bonds5

About N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide

N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (PubChem CID 7289215) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
PubChem CID7289215
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccc(C)cc1C
InChIInChI=1S/C24H29N3O/c1-7-19(6)25-24(28)23-14-21(20-10-9-16(3)17(4)13-20)26-27(23)22-11-8-15(2)12-18(22)5/h8-14,19H,7H2,1-6H3,(H,25,28)/t19-/m0/s1
InChIKeyPADLRIYUSCGMHK-IBGZPJMESA-N
XLogP5.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (CID 7289215) is N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccc(C)cc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The InChIKey is PADLRIYUSCGMHK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O/c1-7-19(6)25-24(28)23-14-21(20-10-9-16(3)17(4)13-20)26-27(23)22-11-8-15(2)12-18(22)5/h8-14,19H,7H2,1-6H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 7289215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).