(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone

C12H13N3O — CID 103133703

IUPAC(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccn(C)n2)c(C)n1
InChIInChI=1S/C12H13N3O/c1-8-4-5-10(9(2)13-8)12(16)11-6-7-15(3)14-11/h4-7H,1-3H3
InChIKeyBVAJCYITVDHKCA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.66
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 103133703) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID103133703
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccn(C)n2)c(C)n1
InChIInChI=1S/C12H13N3O/c1-8-4-5-10(9(2)13-8)12(16)11-6-7-15(3)14-11/h4-7H,1-3H3
InChIKeyBVAJCYITVDHKCA-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 (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone (CID 103133703) is (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone is Cc1ccc(C(=O)c2ccn(C)n2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is BVAJCYITVDHKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-5-10(9(2)13-8)12(16)11-6-7-15(3)14-11/h4-7H,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)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 (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103133703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).