1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide

C17H16ClN5O2 — CID 166318993

IUPAC1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide
SMILESCCOc1cncc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C17H16ClN5O2/c1-3-25-16-10-19-9-15(20-16)21-17(24)14-7-11(2)23(22-14)13-6-4-5-12(18)8-13/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyKSSOWVODNGMZER-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide

1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 166318993) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide
PubChem CID166318993
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide
SMILESCCOc1cncc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C17H16ClN5O2/c1-3-25-16-10-19-9-15(20-16)21-17(24)14-7-11(2)23(22-14)13-6-4-5-12(18)8-13/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyKSSOWVODNGMZER-UHFFFAOYSA-N
XLogP3.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271294
N-(2-ethoxyphenyl)-1-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373235
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
1-(3,4-dichlorophenyl)-5-methyl-N-pyrazin-2-ylpyrazole-3-carboxamide
CID 99611243
ethyl 4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110373026
1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110002325
1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
CID 97338956
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110373154
1-tert-butyl-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]triazole-4-carboxamide
CID 126810236

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide (CID 166318993) is 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide is CCOc1cncc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is KSSOWVODNGMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-3-25-16-10-19-9-15(20-16)21-17(24)14-7-11(2)23(22-14)13-6-4-5-12(18)8-13/h4-10H,3H2,1-2H3,(H,20,21,24).
What are the key properties of 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166318993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).