5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide

C14H10ClN5O — CID 107247017

IUPAC5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C14H10ClN5O/c15-13-9-16-12(8-17-13)14(21)19-10-2-4-11(5-3-10)20-7-1-6-18-20/h1-9H,(H,19,21)
InChIKeyVNWLUUXIJHGWCK-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.57
Rot. Bonds3

About 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide

5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 107247017) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID107247017
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C14H10ClN5O/c15-13-9-16-12(8-17-13)14(21)19-10-2-4-11(5-3-10)20-7-1-6-18-20/h1-9H,(H,19,21)
InChIKeyVNWLUUXIJHGWCK-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

5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 35535373
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
CID 122300381
2,2,2-trichloroethyl N-(4-pyrazol-1-ylphenyl)carbamate
CID 86245202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide (CID 107247017) is 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is VNWLUUXIJHGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-13-9-16-12(8-17-13)14(21)19-10-2-4-11(5-3-10)20-7-1-6-18-20/h1-9H,(H,19,21).
What are the key properties of 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide?
5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-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 5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107247017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).