N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide

C11H12ClN5O — CID 167751137

IUPACN-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnc(Cl)cn2)c(C)n1
InChIInChI=1S/C11H12ClN5O/c1-3-17-6-8(7(2)16-17)11(18)15-10-5-13-9(12)4-14-10/h4-6H,3H2,1-2H3,(H,14,15,18)
InChIKeyCFQKRDFHLFYRAK-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.91
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide

N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 167751137) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID167751137
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC NameN-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnc(Cl)cn2)c(C)n1
InChIInChI=1S/C11H12ClN5O/c1-3-17-6-8(7(2)16-17)11(18)15-10-5-13-9(12)4-14-10/h4-6H,3H2,1-2H3,(H,14,15,18)
InChIKeyCFQKRDFHLFYRAK-UHFFFAOYSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 107595898
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474346
N-(5-chloropyrazin-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 107595749
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474225
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474329
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474417
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
N-(5-chloropyrazin-2-yl)-2-hydroxybenzamide
CID 107595825

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide (CID 167751137) is N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cnc(Cl)cn2)c(C)n1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is CFQKRDFHLFYRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-3-17-6-8(7(2)16-17)11(18)15-10-5-13-9(12)4-14-10/h4-6H,3H2,1-2H3,(H,14,15,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide?
N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167751137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).