1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C15H19N3O — CID 105113394

IUPAC1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1ccncc1C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C15H19N3O/c1-10-7-8-16-9-14(10)15(19)6-5-13-11(2)17-18(4)12(13)3/h7-9H,5-6H2,1-4H3
InChIKeyAXKRFWQKKKSLGH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 105113394) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID105113394
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1ccncc1C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C15H19N3O/c1-10-7-8-16-9-14(10)15(19)6-5-13-11(2)17-18(4)12(13)3/h7-9H,5-6H2,1-4H3
InChIKeyAXKRFWQKKKSLGH-UHFFFAOYSA-N
XLogP2.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105113419
1-(3-chloro-4-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-one
CID 105107531
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113496
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
CID 106677539
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105081186
1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114877397
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96573738
3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
2-(1-methylpyrazol-3-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877704
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 102652873

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 105113394) is 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1ccncc1C(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is AXKRFWQKKKSLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-8-16-9-14(10)15(19)6-5-13-11(2)17-18(4)12(13)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 105113394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).