4-chloro-1-[(2S)-oxan-2-yl]pyrazole

C8H11ClN2O — CID 124506510

IUPAC4-chloro-1-[(2S)-oxan-2-yl]pyrazole
SMILESClc1cnn([C@@H]2CCCCO2)c1
InChIInChI=1S/C8H11ClN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2/t8-/m0/s1
InChIKeyYNOPYGUHZLUIMX-QMMMGPOBSA-N
MW186.64 g/mol
LogP2.24
Rot. Bonds1

About 4-chloro-1-[(2S)-oxan-2-yl]pyrazole

4-chloro-1-[(2S)-oxan-2-yl]pyrazole (PubChem CID 124506510) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-chloro-1-[(2S)-oxan-2-yl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(2S)-oxan-2-yl]pyrazole
PubChem CID124506510
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-chloro-1-[(2S)-oxan-2-yl]pyrazole
SMILESClc1cnn([C@@H]2CCCCO2)c1
InChIInChI=1S/C8H11ClN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2/t8-/m0/s1
InChIKeyYNOPYGUHZLUIMX-QMMMGPOBSA-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

ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-bromo-1-(oxolan-2-yl)pyrazole
CID 130806899
3-chloro-5-[1-(oxan-2-yl)pyrazol-4-yl]benzonitrile
CID 172991022
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
trans-(1S,2S)-2-(4-chloropyrazol-1-yl)cyclohexan-1-ol
CID 102732380
3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
CID 175855402
4-(4-chlorocyclohepta-1,3,6-trien-1-yl)sulfanyl-1-(oxan-2-yl)pyrazole
CID 143910974
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 165117179

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2S)-oxan-2-yl]pyrazole?
The IUPAC name of 4-chloro-1-[(2S)-oxan-2-yl]pyrazole (CID 124506510) is 4-chloro-1-[(2S)-oxan-2-yl]pyrazole.
What is the SMILES notation for 4-chloro-1-[(2S)-oxan-2-yl]pyrazole?
The canonical SMILES for 4-chloro-1-[(2S)-oxan-2-yl]pyrazole is Clc1cnn([C@@H]2CCCCO2)c1.
What is the InChIKey of 4-chloro-1-[(2S)-oxan-2-yl]pyrazole?
The InChIKey is YNOPYGUHZLUIMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2/t8-/m0/s1.
What are the key properties of 4-chloro-1-[(2S)-oxan-2-yl]pyrazole?
4-chloro-1-[(2S)-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 4-chloro-1-[(2S)-oxan-2-yl]pyrazole is sourced from PubChem (CID 124506510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).