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

C10H15ClN2O2 — CID 99799549

IUPAC4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
SMILESClc1cnn(CCO[C@H]2CCCCO2)c1
InChIInChI=1S/C10H15ClN2O2/c11-9-7-12-13(8-9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2/t10-/m0/s1
InChIKeyOWLZWQZKDOARIX-JTQLQIEISA-N
MW230.69 g/mol
LogP2.08
Rot. Bonds4

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

4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole (PubChem CID 99799549) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
PubChem CID99799549
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
SMILESClc1cnn(CCO[C@H]2CCCCO2)c1
InChIInChI=1S/C10H15ClN2O2/c11-9-7-12-13(8-9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2/t10-/m0/s1
InChIKeyOWLZWQZKDOARIX-JTQLQIEISA-N
XLogP2.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]borinic acid
CID 45382218
3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
CID 86687174
6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 89443564
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
CID 66215547
4-chloro-6-methylsulfanyl-1-[2-(oxan-2-yloxy)ethyl]pyrazolo[5,4-d]pyrimidine
CID 72720923
1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
CID 66831605
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole?
The IUPAC name of 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole (CID 99799549) is 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole?
The canonical SMILES for 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole is Clc1cnn(CCO[C@H]2CCCCO2)c1.
What is the InChIKey of 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole?
The InChIKey is OWLZWQZKDOARIX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-9-7-12-13(8-9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2/t10-/m0/s1.
What are the key properties of 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole?
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole has a molecular weight of 230.69 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole is sourced from PubChem (CID 99799549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).