N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide

C12H14N4O2 — CID 47341835

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cnn(C)c2)ccc1=O
InChIInChI=1S/C12H14N4O2/c1-3-16-8-10(4-5-11(16)17)14-12(18)9-6-13-15(2)7-9/h4-8H,3H2,1-2H3,(H,14,18)
InChIKeyDGDSRSDBSHBDLL-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.85
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide (PubChem CID 47341835) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide
PubChem CID47341835
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cnn(C)c2)ccc1=O
InChIInChI=1S/C12H14N4O2/c1-3-16-8-10(4-5-11(16)17)14-12(18)9-6-13-15(2)7-9/h4-8H,3H2,1-2H3,(H,14,18)
InChIKeyDGDSRSDBSHBDLL-UHFFFAOYSA-N
XLogP0.85
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide (CID 47341835) is N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide is CCn1cc(NC(=O)c2cnn(C)c2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is DGDSRSDBSHBDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-16-8-10(4-5-11(16)17)14-12(18)9-6-13-15(2)7-9/h4-8H,3H2,1-2H3,(H,14,18).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47341835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).