ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate

C22H23N3O3 — CID 134090109

IUPACethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H23N3O3/c1-5-28-22(27)20-19(21(26)23-17-10-6-14(2)7-11-17)16(4)25(24-20)18-12-8-15(3)9-13-18/h6-13H,5H2,1-4H3,(H,23,26)
InChIKeyZCISWKYUFOVSSK-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.23
Rot. Bonds5

About ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate

ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate (PubChem CID 134090109) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate
PubChem CID134090109
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H23N3O3/c1-5-28-22(27)20-19(21(26)23-17-10-6-14(2)7-11-17)16(4)25(24-20)18-12-8-15(3)9-13-18/h6-13H,5H2,1-4H3,(H,23,26)
InChIKeyZCISWKYUFOVSSK-UHFFFAOYSA-N
XLogP4.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]benzoic acid
CID 2740659
ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
CID 1234267
ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
CID 2740655
4-[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)anilino]-4-oxobutanoic acid
CID 2740661
ethyl 5-acetyl-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate
CID 851059
ethyl 5-amino-1-[4-(pyridine-4-carbonylamino)phenyl]triazole-4-carboxylate
CID 17039291
ethyl 4-[[1-(4-methylphenyl)-1,2,4-triazole-3-carbonyl]amino]benzoate
CID 24825050
diethyl 5-(cyclohexylamino)-1-(4-methylphenyl)pyrazole-3,4-dicarboxylate
CID 135065265
ethyl 4-[2-(3-acetamidoanilino)-2-oxoethoxy]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 18579815
ethyl 1-(4-acetamidophenyl)-5-aminotriazole-4-carboxylate
CID 17039293
diethyl 5,7-dimethyl-3-(4-methylphenyl)-4-oxophthalazine-1,6-dicarboxylate
CID 12797359
ethyl 4-[2-(3-acetylanilino)-2-oxoethoxy]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 18579858

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate (CID 134090109) is ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate?
The InChIKey is ZCISWKYUFOVSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-5-28-22(27)20-19(21(26)23-17-10-6-14(2)7-11-17)16(4)25(24-20)18-12-8-15(3)9-13-18/h6-13H,5H2,1-4H3,(H,23,26).
What are the key properties of ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate?
ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]pyrazole-3-carboxylate is sourced from PubChem (CID 134090109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).