5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide

C9H5ClN6O — CID 114036933

IUPAC5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C9H5ClN6O/c10-7-4-12-6(3-13-7)9(17)15-8-5(1-11)2-14-16-8/h2-4H,(H2,14,15,16,17)
InChIKeyFBIRHSVUOOJNOC-UHFFFAOYSA-N
MW248.63 g/mol
LogP0.98
Rot. Bonds2

About 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide

5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide (PubChem CID 114036933) has the molecular formula C9H5ClN6O and a molecular weight of 248.63 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide
PubChem CID114036933
Molecular FormulaC9H5ClN6O
Molecular Weight248.63 g/mol
Exact Mass248.02
IUPAC Name5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C9H5ClN6O/c10-7-4-12-6(3-13-7)9(17)15-8-5(1-11)2-14-16-8/h2-4H,(H2,14,15,16,17)
InChIKeyFBIRHSVUOOJNOC-UHFFFAOYSA-N
XLogP0.98
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
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4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
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N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
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4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 110473991
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
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N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
CID 110470623
N-(4-cyano-1H-pyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79504220
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CID 103510956

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide (CID 114036933) is 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide is N#Cc1cn[nH]c1NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is FBIRHSVUOOJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN6O/c10-7-4-12-6(3-13-7)9(17)15-8-5(1-11)2-14-16-8/h2-4H,(H2,14,15,16,17).
What are the key properties of 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide?
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 248.63 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-1H-pyrazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 114036933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).