ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate

C20H19N3O3 — CID 20861286

IUPACethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)15-9-11-16(12-10-15)21-19(24)18-13-14(2)22-23(18)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,21,24)
InChIKeyHDKLASYRCCWUHS-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.61
Rot. Bonds5

About ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate

ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 20861286) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate
PubChem CID20861286
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)15-9-11-16(12-10-15)21-19(24)18-13-14(2)22-23(18)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,21,24)
InChIKeyHDKLASYRCCWUHS-UHFFFAOYSA-N
XLogP3.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
[2-(2-Fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4791006
Ethyl 3-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate
CID 20861278
Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 657481
ethyl 4-(3-methyl-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 662826
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
ethyl 1-methyl-3-(3-toluidinocarbonyl)-1H-pyrazole-5-carboxylate
CID 843036
isopropyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1226242
ethyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1301789
ethyl 4-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)amino]carbonyl}amino)benzoate
CID 972049
isopropyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 1316580
ethyl 4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1342829

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate (CID 20861286) is ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is HDKLASYRCCWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-20(25)15-9-11-16(12-10-15)21-19(24)18-13-14(2)22-23(18)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 349.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 20861286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).