N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide

C18H13N5O — CID 71884776

IUPACN-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H13N5O/c24-18(17-11-19-15-8-4-5-9-16(15)22-17)21-13-10-20-23(12-13)14-6-2-1-3-7-14/h1-12H,(H,21,24)
InChIKeyOWZIITBZBHCXFO-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.07
Rot. Bonds3

About N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide

N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide (PubChem CID 71884776) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
PubChem CID71884776
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC NameN-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H13N5O/c24-18(17-11-19-15-8-4-5-9-16(15)22-17)21-13-10-20-23(12-13)14-6-2-1-3-7-14/h1-12H,(H,21,24)
InChIKeyOWZIITBZBHCXFO-UHFFFAOYSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 99816223
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 86848828
N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 110470884
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
N-[2-(dimethylamino)pyrimidin-5-yl]quinoxaline-2-carboxamide
CID 122297962
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
CID 17088872
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46451511
5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 135689125

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide (CID 71884776) is N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide is O=C(Nc1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide?
The InChIKey is OWZIITBZBHCXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-18(17-11-19-15-8-4-5-9-16(15)22-17)21-13-10-20-23(12-13)14-6-2-1-3-7-14/h1-12H,(H,21,24).
What are the key properties of N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide?
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 71884776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).