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

C11H12ClN5O — CID 107595898

IUPACN-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C11H12ClN5O/c1-3-17-8(4-7(2)16-17)11(18)15-10-6-13-9(12)5-14-10/h4-6H,3H2,1-2H3,(H,14,15,18)
InChIKeyQMMSRMPZHSXIBB-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.91
Rot. Bonds3

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

N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 107595898) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID107595898
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC NameN-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C11H12ClN5O/c1-3-17-8(4-7(2)16-17)11(18)15-10-6-13-9(12)5-14-10/h4-6H,3H2,1-2H3,(H,14,15,18)
InChIKeyQMMSRMPZHSXIBB-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

N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 167751137
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 113236961
N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409
N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 81027249
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263
N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114149579
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
N-(5-chloropyrazin-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 107595749
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114307110
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 107595898) is N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is QMMSRMPZHSXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-3-17-8(4-7(2)16-17)11(18)15-10-6-13-9(12)5-14-10/h4-6H,3H2,1-2H3,(H,14,15,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-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)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 107595898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).