N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide

C20H21N3O — CID 46577913

IUPACN-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-4-19-18(13-21-23(19)17-8-6-5-7-9-17)20(24)22-16-11-10-14(2)15(3)12-16/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyVFQDFGNEUUPCJO-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.30
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide

N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 46577913) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID46577913
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-4-19-18(13-21-23(19)17-8-6-5-7-9-17)20(24)22-16-11-10-14(2)15(3)12-16/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyVFQDFGNEUUPCJO-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-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37437633
N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55585413
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 46577913) is N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VFQDFGNEUUPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-19-18(13-21-23(19)17-8-6-5-7-9-17)20(24)22-16-11-10-14(2)15(3)12-16/h5-13H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-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 N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46577913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).