N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide

C14H10ClN5O2 — CID 15421763

IUPACN-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1c[nH]n(-c2ccc(Cl)cc2)c1=O)c1cnccn1
InChIInChI=1S/C14H10ClN5O2/c15-9-1-3-10(4-2-9)20-14(22)12(8-18-20)19-13(21)11-7-16-5-6-17-11/h1-8,18H,(H,19,21)
InChIKeyXMYBJRZMPFMCMK-UHFFFAOYSA-N
MW315.72 g/mol
LogP1.86
Rot. Bonds3

About N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide

N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 15421763) has the molecular formula C14H10ClN5O2 and a molecular weight of 315.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID15421763
Molecular FormulaC14H10ClN5O2
Molecular Weight315.72 g/mol
Exact Mass315.05
IUPAC NameN-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1c[nH]n(-c2ccc(Cl)cc2)c1=O)c1cnccn1
InChIInChI=1S/C14H10ClN5O2/c15-9-1-3-10(4-2-9)20-14(22)12(8-18-20)19-13(21)11-7-16-5-6-17-11/h1-8,18H,(H,19,21)
InChIKeyXMYBJRZMPFMCMK-UHFFFAOYSA-N
XLogP1.86
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)pyrazine-2-carboxamide
CID 15372135
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 136762067
N-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrazine-2-carboxamide
CID 71555560
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
CID 71910292
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]pyrazine-2-carboxamide
CID 110666649
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide
CID 172641517
N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrazine-2-carboxamide
CID 71804997
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide (CID 15421763) is N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide is O=C(Nc1c[nH]n(-c2ccc(Cl)cc2)c1=O)c1cnccn1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is XMYBJRZMPFMCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O2/c15-9-1-3-10(4-2-9)20-14(22)12(8-18-20)19-13(21)11-7-16-5-6-17-11/h1-8,18H,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide?
N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 315.72 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 15421763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).