5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide

C20H21N3O — CID 46584156

IUPAC5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)cc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H21N3O/c1-4-19-18(20(24)22-16-9-5-14(2)6-10-16)13-21-23(19)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyUKLAFNSBRRKVFK-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.30
Rot. Bonds4

About 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide

5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 46584156) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID46584156
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)cc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H21N3O/c1-4-19-18(20(24)22-16-9-5-14(2)6-10-16)13-21-23(19)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyUKLAFNSBRRKVFK-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55963533
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204
5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
CID 37437425
5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55576435
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55581030
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
5-ethyl-1-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 39122202

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide (CID 46584156) is 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(C)cc2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is UKLAFNSBRRKVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-19-18(20(24)22-16-9-5-14(2)6-10-16)13-21-23(19)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,24).
What are the key properties of 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide?
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46584156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).