5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide

C12H13ClN4O2 — CID 146323320

IUPAC5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)n(C)n2)ccc1=O
InChIInChI=1S/C12H13ClN4O2/c1-3-17-7-8(4-5-11(17)18)14-12(19)9-6-10(13)16(2)15-9/h4-7H,3H2,1-2H3,(H,14,19)
InChIKeyRWKMCEAFRKXEFI-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.51
Rot. Bonds3

About 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide

5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 146323320) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID146323320
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)n(C)n2)ccc1=O
InChIInChI=1S/C12H13ClN4O2/c1-3-17-7-8(4-5-11(17)18)14-12(19)9-6-10(13)16(2)15-9/h4-7H,3H2,1-2H3,(H,14,19)
InChIKeyRWKMCEAFRKXEFI-UHFFFAOYSA-N
XLogP1.51
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
CID 146323461
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 167694658
4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323464
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 47255035
5-cyclopropyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146323310
N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide
CID 153398122
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
N-(1-ethyl-6-oxo-3-pyridinyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide
CID 119042734
4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
CID 65358234
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47339542
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 136521739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 146323320) is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2cc(Cl)n(C)n2)ccc1=O.
What is the InChIKey of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is RWKMCEAFRKXEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-3-17-7-8(4-5-11(17)18)14-12(19)9-6-10(13)16(2)15-9/h4-7H,3H2,1-2H3,(H,14,19).
What are the key properties of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146323320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).