N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C12H13N3O2 — CID 54252922

IUPACN-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-13-12(17)10-8-11(16)15(14-10)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3,(H,13,17)
InChIKeyQYALBJJFLOUZFK-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.92
Rot. Bonds3

About N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 54252922) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID54252922
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-13-12(17)10-8-11(16)15(14-10)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3,(H,13,17)
InChIKeyQYALBJJFLOUZFK-UHFFFAOYSA-N
XLogP0.92
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 18618961
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91765548
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 77081831
3-(2-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 78071828
3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91787668
3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90094076
3-(3-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093939
3-(4-fluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90094203
3-oxo-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91771220
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99937966
tert-butyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate
CID 18922586
3-(3,5-difluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 54252922) is N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is CCNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is QYALBJJFLOUZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-13-12(17)10-8-11(16)15(14-10)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3,(H,13,17).
What are the key properties of N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 54252922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).