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

C20H19N3O3 — CID 20861278

IUPACethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)15-8-7-9-16(13-15)21-19(24)18-12-14(2)22-23(18)17-10-5-4-6-11-17/h4-13H,3H2,1-2H3,(H,21,24)
InChIKeyGRGWNLOKDNZNNH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.61
Rot. Bonds5

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

ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 20861278) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate
PubChem CID20861278
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)15-8-7-9-16(13-15)21-19(24)18-12-14(2)22-23(18)17-10-5-4-6-11-17/h4-13H,3H2,1-2H3,(H,21,24)
InChIKeyGRGWNLOKDNZNNH-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 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
[2-(2-Fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4791006
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
(+)-1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethoxy)(phenyl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 91884591
1-(3-(Aminomethyl)phenyl)-N-(5-((cyclopropylmethoxy)(phenyl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355729
1-(3-(aminomethyl)phenyl)-N-(5-((3-aminophenyl)(cyclopropylmethoxy)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355865
1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethoxy)(phenyl)methyl)-5-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118356068
1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethoxy)(phenyl)methyl)-4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118356199
1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethoxy)(phenyl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118356266
1-(3-(aminomethyl)phenyl)-N-(5-(ethoxy(phenyl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665520
1-(3-(aminomethyl)phenyl)-N-(3-(phenyl(propoxy)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665753

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate (CID 20861278) is ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc(C)nn2-c2ccccc2)c1.
What is the InChIKey of ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is GRGWNLOKDNZNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-20(25)15-8-7-9-16(13-15)21-19(24)18-12-14(2)22-23(18)17-10-5-4-6-11-17/h4-13H,3H2,1-2H3,(H,21,24).
What are the key properties of ethyl 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate?
ethyl 3-[(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 3-[(5-methyl-2-phenylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 20861278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).