N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

C20H18N4O — CID 46586204

IUPACN-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H18N4O/c1-3-19-18(13-22-24(19)17-9-7-14(2)8-10-17)20(25)23-16-6-4-5-15(11-16)12-21/h4-11,13H,3H2,1-2H3,(H,23,25)
InChIKeyPMMSFTGEEZIUNP-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.87
Rot. Bonds4

About N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 46586204) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID46586204
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H18N4O/c1-3-19-18(13-22-24(19)17-9-7-14(2)8-10-17)20(25)23-16-6-4-5-15(11-16)12-21/h4-11,13H,3H2,1-2H3,(H,23,25)
InChIKeyPMMSFTGEEZIUNP-UHFFFAOYSA-N
XLogP3.87
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
5-ethyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55835373
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
CID 55580357
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
CID 37437425

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 46586204) is N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(C)cc1.
What is the InChIKey of N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is PMMSFTGEEZIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-19-18(13-22-24(19)17-9-7-14(2)8-10-17)20(25)23-16-6-4-5-15(11-16)12-21/h4-11,13H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46586204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).