1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one

C14H17N3O — CID 103023920

IUPAC1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
SMILESCn1cc(CCC(=O)CCc2ccccn2)cn1
InChIInChI=1S/C14H17N3O/c1-17-11-12(10-16-17)5-7-14(18)8-6-13-4-2-3-9-15-13/h2-4,9-11H,5-8H2,1H3
InChIKeyUYAFZFQQVBMDRV-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.95
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one

1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one (PubChem CID 103023920) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
PubChem CID103023920
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
SMILESCn1cc(CCC(=O)CCc2ccccn2)cn1
InChIInChI=1S/C14H17N3O/c1-17-11-12(10-16-17)5-7-14(18)8-6-13-4-2-3-9-15-13/h2-4,9-11H,5-8H2,1H3
InChIKeyUYAFZFQQVBMDRV-UHFFFAOYSA-N
XLogP1.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
CID 105084640
1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023672
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
CID 47128145
N-(3-hydroxy-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298670
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
1-(2,6-dichlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007346
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194623
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one (CID 103023920) is 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one is Cn1cc(CCC(=O)CCc2ccccn2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one?
The InChIKey is UYAFZFQQVBMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-11-12(10-16-17)5-7-14(18)8-6-13-4-2-3-9-15-13/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one?
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one is sourced from PubChem (CID 103023920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).