N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide

C14H10ClN5O — CID 104819812

IUPACN-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10ClN5O/c15-12-7-16-8-13(18-12)19-14(21)10-6-17-20(9-10)11-4-2-1-3-5-11/h1-9H,(H,18,19,21)
InChIKeyLXIKZNPWSNLADZ-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide

N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 104819812) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID104819812
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC NameN-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cncc(Cl)n1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10ClN5O/c15-12-7-16-8-13(18-12)19-14(21)10-6-17-20(9-10)11-4-2-1-3-5-11/h1-9H,(H,18,19,21)
InChIKeyLXIKZNPWSNLADZ-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 115683266
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
CID 87010055
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
CID 43429648
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide (CID 104819812) is N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1cncc(Cl)n1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is LXIKZNPWSNLADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-12-7-16-8-13(18-12)19-14(21)10-6-17-20(9-10)11-4-2-1-3-5-11/h1-9H,(H,18,19,21).
What are the key properties of N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide?
N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 104819812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).