(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone

C12H13N3O — CID 102802866

IUPAC(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C12H13N3O/c1-8-4-10(6-13-5-8)12(16)11-7-15(3)14-9(11)2/h4-7H,1-3H3
InChIKeyCOIAIIUGSFQBFM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.66
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone

(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 102802866) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID102802866
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C12H13N3O/c1-8-4-10(6-13-5-8)12(16)11-7-15(3)14-9(11)2/h4-7H,1-3H3
InChIKeyCOIAIIUGSFQBFM-UHFFFAOYSA-N
XLogP1.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone (CID 102802866) is (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)c2cn(C)nc2C)c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is COIAIIUGSFQBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-10(6-13-5-8)12(16)11-7-15(3)14-9(11)2/h4-7H,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone?
(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 102802866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).