1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone

C14H17N3O — CID 174154263

IUPAC1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
SMILESCCCCn1nc(-c2ccccn2)cc1C(C)=O
InChIInChI=1S/C14H17N3O/c1-3-4-9-17-14(11(2)18)10-13(16-17)12-7-5-6-8-15-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeyPJBQZTKHEOQGRP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.95
Rot. Bonds5

About 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone

1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone (PubChem CID 174154263) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
PubChem CID174154263
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
SMILESCCCCn1nc(-c2ccccn2)cc1C(C)=O
InChIInChI=1S/C14H17N3O/c1-3-4-9-17-14(11(2)18)10-13(16-17)12-7-5-6-8-15-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeyPJBQZTKHEOQGRP-UHFFFAOYSA-N
XLogP2.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-octyl-6-pyridin-2-ylpyridazin-3-one
CID 70961886
1-prop-2-enyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 84761183
2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride
CID 82447010
1-(cyanomethyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 121210717
3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995
2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride
CID 82445374
propane;2-pyridin-2-ylpyridine
CID 158168510
2-methyl-4-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)butan-2-amine
CID 141089095
2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde
CID 121211744
3-acetyl-4-hydroxy-1-octyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 4302366
methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate
CID 118306589
N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide
CID 118313306

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone (CID 174154263) is 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone is CCCCn1nc(-c2ccccn2)cc1C(C)=O.
What is the InChIKey of 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone?
The InChIKey is PJBQZTKHEOQGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-4-9-17-14(11(2)18)10-13(16-17)12-7-5-6-8-15-12/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone?
1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone is sourced from PubChem (CID 174154263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).