3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

C22H24N4O2 — CID 9224757

IUPAC3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C22H24N4O2/c1-4-23-20(27)13-24-22(28)19-14-26(18-8-6-5-7-9-18)25-21(19)17-11-10-15(2)16(3)12-17/h5-12,14H,4,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIAVBAHMWSIVMGM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 9224757) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID9224757
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C22H24N4O2/c1-4-23-20(27)13-24-22(28)19-14-26(18-8-6-5-7-9-18)25-21(19)17-11-10-15(2)16(3)12-17/h5-12,14H,4,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIAVBAHMWSIVMGM-UHFFFAOYSA-N
XLogP3.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 55869482
3-(3,4-dimethylphenyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 9227765
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide
CID 43007655
3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9163277
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (CID 9224757) is 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is CCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IAVBAHMWSIVMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-23-20(27)13-24-22(28)19-14-26(18-8-6-5-7-9-18)25-21(19)17-11-10-15(2)16(3)12-17/h5-12,14H,4,13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9224757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).