ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate

C19H17N3O3 — CID 692663

IUPACethyl 5-benzamido-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3/c1-2-25-19(24)16-13-20-22(15-11-7-4-8-12-15)17(16)21-18(23)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,21,23)
InChIKeyAUMKOSRYVPNTCL-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.30
Rot. Bonds5

About ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate

ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate (PubChem CID 692663) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-1-phenylpyrazole-4-carboxylate
PubChem CID692663
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Nameethyl 5-benzamido-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3/c1-2-25-19(24)16-13-20-22(15-11-7-4-8-12-15)17(16)21-18(23)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,21,23)
InChIKeyAUMKOSRYVPNTCL-UHFFFAOYSA-N
XLogP3.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 85270
ethyl 5-amino-1-(3,5-dimethylphenyl)-1H-pyrazole-4-carboxylate
CID 2111481
Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate
CID 1756117
ethyl 5-oxo-1H,5H-pyrazolo(1,5-a)quinazoline-3-carboxylate
CID 135407994
Methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 4191879
Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
CID 703785
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11566992
2-[2-(4-Oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetylamino]-benzoic acid methyl ester
CID 650943
ethyl 5-[(2-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate
CID 872379

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate (CID 692663) is ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate?
The InChIKey is AUMKOSRYVPNTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-25-19(24)16-13-20-22(15-11-7-4-8-12-15)17(16)21-18(23)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,21,23).
What are the key properties of ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate?
ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 692663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).