3-chloro-1-(oxan-2-yl)pyrazole

C8H11ClN2O — CID 155895541

IUPAC3-chloro-1-(oxan-2-yl)pyrazole
SMILESClc1ccn(C2CCCCO2)n1
InChIInChI=1S/C8H11ClN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChIKeyAEUOWZZZKITXBA-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.24
Rot. Bonds1

About 3-chloro-1-(oxan-2-yl)pyrazole

3-chloro-1-(oxan-2-yl)pyrazole (PubChem CID 155895541) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 3-chloro-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-chloro-1-(oxan-2-yl)pyrazole
PubChem CID155895541
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name3-chloro-1-(oxan-2-yl)pyrazole
SMILESClc1ccn(C2CCCCO2)n1
InChIInChI=1S/C8H11ClN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChIKeyAEUOWZZZKITXBA-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dihydropyrrol-1-yl)-1-(oxan-2-yl)pyrazole
CID 90437226
1-[(2S)-oxan-2-yl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 124635723
2-bromo-5-[1-(oxan-2-yl)pyrazol-3-yl]aniline
CID 169085949
[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone
CID 163570904
4-chloro-1-(oxan-2-yl)imidazole
CID 175285787
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
trans-(1R,2R)-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxylic acid
CID 139468907
[1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 162683794
1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole
CID 156694753
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
4-bromo-6-chloro-5-methyl-2-(oxan-2-yl)indazole
CID 165430986
3-chloro-1-(oxan-2-yl)indazole
CID 66909910

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-chloro-1-(oxan-2-yl)pyrazole (CID 155895541) is 3-chloro-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-chloro-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-chloro-1-(oxan-2-yl)pyrazole is Clc1ccn(C2CCCCO2)n1.
What is the InChIKey of 3-chloro-1-(oxan-2-yl)pyrazole?
The InChIKey is AEUOWZZZKITXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2.
What are the key properties of 3-chloro-1-(oxan-2-yl)pyrazole?
3-chloro-1-(oxan-2-yl)pyrazole has a molecular weight of 186.64 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 155895541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).