3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one

C12H13N3O — CID 103007247

IUPAC3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
SMILESCn1nccc1CCC(=O)c1cccnc1
InChIInChI=1S/C12H13N3O/c1-15-11(6-8-14-15)4-5-12(16)10-3-2-7-13-9-10/h2-3,6-9H,4-5H2,1H3
InChIKeyIDKJNIJPCALZLW-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one

3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one (PubChem CID 103007247) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
PubChem CID103007247
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
SMILESCn1nccc1CCC(=O)c1cccnc1
InChIInChI=1S/C12H13N3O/c1-15-11(6-8-14-15)4-5-12(16)10-3-2-7-13-9-10/h2-3,6-9H,4-5H2,1H3
InChIKeyIDKJNIJPCALZLW-UHFFFAOYSA-N
XLogP1.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-iodophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024292
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024317
1-pyridin-3-ylpentan-1-one
CID 12648543
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007703
1-pyridin-3-ylundecan-1-one
CID 19756112
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023608
1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024409
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 103023537

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one (CID 103007247) is 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one is Cn1nccc1CCC(=O)c1cccnc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one?
The InChIKey is IDKJNIJPCALZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-11(6-8-14-15)4-5-12(16)10-3-2-7-13-9-10/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one?
3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one has a molecular weight of 215.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 103007247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).