ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate

C20H19N3O3 — CID 719913

IUPACethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)17-13-21-23(16-7-5-4-6-8-16)18(17)22-19(24)15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyKTBPENAOEXCCSW-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.61
Rot. Bonds5

About ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 719913) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate
PubChem CID719913
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-20(25)17-13-21-23(16-7-5-4-6-8-16)18(17)22-19(24)15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyKTBPENAOEXCCSW-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate (CID 719913) is ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is KTBPENAOEXCCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-20(25)17-13-21-23(16-7-5-4-6-8-16)18(17)22-19(24)15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3,(H,22,24).
What are the key properties of ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate 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 5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 719913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).