N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C12H13N3O3 — CID 110600672

IUPACN-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C12H13N3O3/c1-2-18-9-5-3-8(4-6-9)13-12(17)10-7-11(16)15-14-10/h3-7H,2H2,1H3,(H,13,17)(H2,14,15,16)
InChIKeyDKGLHSGWLUMFGC-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.35
Rot. Bonds4

About N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600672) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600672
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C12H13N3O3/c1-2-18-9-5-3-8(4-6-9)13-12(17)10-7-11(16)15-14-10/h3-7H,2H2,1H3,(H,13,17)(H2,14,15,16)
InChIKeyDKGLHSGWLUMFGC-UHFFFAOYSA-N
XLogP1.35
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
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N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
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N-(4-ethoxyphenyl)-3,5-difluorobenzamide
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3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 110600672) is N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is DKGLHSGWLUMFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-9-5-3-8(4-6-9)13-12(17)10-7-11(16)15-14-10/h3-7H,2H2,1H3,(H,13,17)(H2,14,15,16).
What are the key properties of N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).