[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone

C14H15N3O2 — CID 163570904

IUPAC[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccn(C2CCCCO2)n1
InChIInChI=1S/C14H15N3O2/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13/h4-9,13H,1-3,10H2
InChIKeyDDQLPQZTBCSLOQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.21
Rot. Bonds3

About [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone

[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone (PubChem CID 163570904) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone
PubChem CID163570904
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccn(C2CCCCO2)n1
InChIInChI=1S/C14H15N3O2/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13/h4-9,13H,1-3,10H2
InChIKeyDDQLPQZTBCSLOQ-UHFFFAOYSA-N
XLogP2.21
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541
trans-(1R,2R)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
CID 139468907
3-(2,5-dihydropyrrol-1-yl)-1-(oxan-2-yl)pyrazole
CID 90437226
[1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 162683794
benzyl-[2-[1-(oxan-2-yl)pyrazol-3-yl]ethyl]carbamic acid
CID 86713080
1-[(2S)-oxan-2-yl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 124635723
3-methyl-1-[(2S)-oxan-2-yl]pyrazole-4-carboxylic acid
CID 129390500
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 67107099
CID 88950303
CID 88950303
N-cyclopentylpyridine-4-carboxamide
CID 4212000

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone (CID 163570904) is [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccn(C2CCCCO2)n1.
What is the InChIKey of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone?
The InChIKey is DDQLPQZTBCSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13/h4-9,13H,1-3,10H2.
What are the key properties of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone?
[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone has a molecular weight of 257.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 163570904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).