N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide

C13H16N4O2 — CID 53184910

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1ccnn1C
InChIInChI=1S/C13H16N4O2/c1-3-19-13-10(5-4-7-14-13)9-15-12(18)11-6-8-16-17(11)2/h4-8H,3,9H2,1-2H3,(H,15,18)
InChIKeyAFWJXXQMCDWLML-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.14
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 53184910) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID53184910
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1ccnn1C
InChIInChI=1S/C13H16N4O2/c1-3-19-13-10(5-4-7-14-13)9-15-12(18)11-6-8-16-17(11)2/h4-8H,3,9H2,1-2H3,(H,15,18)
InChIKeyAFWJXXQMCDWLML-UHFFFAOYSA-N
XLogP1.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide (CID 53184910) is N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide is CCOc1ncccc1CNC(=O)c1ccnn1C.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is AFWJXXQMCDWLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-13-10(5-4-7-14-13)9-15-12(18)11-6-8-16-17(11)2/h4-8H,3,9H2,1-2H3,(H,15,18).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 53184910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).