(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone

C12H13N3O — CID 105082299

IUPAC(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cnn(C)c2)c(C)n1
InChIInChI=1S/C12H13N3O/c1-8-4-5-11(9(2)14-8)12(16)10-6-13-15(3)7-10/h4-7H,1-3H3
InChIKeyVRHREOJMGUOHMU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.66
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 105082299) 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-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
PubChem CID105082299
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cnn(C)c2)c(C)n1
InChIInChI=1S/C12H13N3O/c1-8-4-5-11(9(2)14-8)12(16)10-6-13-15(3)7-10/h4-7H,1-3H3
InChIKeyVRHREOJMGUOHMU-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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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 105084447
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 103133703
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
CID 102830803
(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963984
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 115604683
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 102811630
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203
(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963914
(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43805096
1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methanone
CID 81153366

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone (CID 105082299) is (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone is Cc1ccc(C(=O)c2cnn(C)c2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is VRHREOJMGUOHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-5-11(9(2)14-8)12(16)10-6-13-15(3)7-10/h4-7H,1-3H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-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-4-yl)methanone is sourced from PubChem (CID 105082299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).