2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C11H12N4O — CID 63811010

IUPAC2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ncccc2C(N)=O)n1
InChIInChI=1S/C11H12N4O/c1-7-6-8(2)15(14-7)11-9(10(12)16)4-3-5-13-11/h3-6H,1-2H3,(H2,12,16)
InChIKeyNYQJASJFWJZYQR-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.98
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 63811010) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID63811010
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ncccc2C(N)=O)n1
InChIInChI=1S/C11H12N4O/c1-7-6-8(2)15(14-7)11-9(10(12)16)4-3-5-13-11/h3-6H,1-2H3,(H2,12,16)
InChIKeyNYQJASJFWJZYQR-UHFFFAOYSA-N
XLogP0.98
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 63811010) is 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ncccc2C(N)=O)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is NYQJASJFWJZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-6-8(2)15(14-7)11-9(10(12)16)4-3-5-13-11/h3-6H,1-2H3,(H2,12,16).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).