5-chloro-1-(oxan-3-yl)pyrazol-4-ol

C8H11ClN2O2 — CID 117232043

IUPAC5-chloro-1-(oxan-3-yl)pyrazol-4-ol
SMILESOc1cnn(C2CCCOC2)c1Cl
InChIInChI=1S/C8H11ClN2O2/c9-8-7(12)4-10-11(8)6-2-1-3-13-5-6/h4,6,12H,1-3,5H2
InChIKeyBAQRBLBOFWFUIC-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.59
Rot. Bonds1

About 5-chloro-1-(oxan-3-yl)pyrazol-4-ol

5-chloro-1-(oxan-3-yl)pyrazol-4-ol (PubChem CID 117232043) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-1-(oxan-3-yl)pyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1-(oxan-3-yl)pyrazol-4-ol
PubChem CID117232043
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-chloro-1-(oxan-3-yl)pyrazol-4-ol
SMILESOc1cnn(C2CCCOC2)c1Cl
InChIInChI=1S/C8H11ClN2O2/c9-8-7(12)4-10-11(8)6-2-1-3-13-5-6/h4,6,12H,1-3,5H2
InChIKeyBAQRBLBOFWFUIC-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232364
5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
CID 117232039
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
CID 86335303
1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105460739
1-(oxan-3-yl)-6-propan-2-ylindazole
CID 153308080
5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid
CID 167965174
5-bromo-1-cyclobutylpyrazol-4-ol
CID 117233141
4-(chloromethyl)-1-(oxan-3-yl)triazole
CID 107137451
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
5-cyclopropyl-1-(oxan-3-yl)pyrazole-3-carboxylic acid
CID 175666826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-3-yl)pyrazol-4-ol?
The IUPAC name of 5-chloro-1-(oxan-3-yl)pyrazol-4-ol (CID 117232043) is 5-chloro-1-(oxan-3-yl)pyrazol-4-ol.
What is the SMILES notation for 5-chloro-1-(oxan-3-yl)pyrazol-4-ol?
The canonical SMILES for 5-chloro-1-(oxan-3-yl)pyrazol-4-ol is Oc1cnn(C2CCCOC2)c1Cl.
What is the InChIKey of 5-chloro-1-(oxan-3-yl)pyrazol-4-ol?
The InChIKey is BAQRBLBOFWFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-8-7(12)4-10-11(8)6-2-1-3-13-5-6/h4,6,12H,1-3,5H2.
What are the key properties of 5-chloro-1-(oxan-3-yl)pyrazol-4-ol?
5-chloro-1-(oxan-3-yl)pyrazol-4-ol has a molecular weight of 202.64 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-3-yl)pyrazol-4-ol is sourced from PubChem (CID 117232043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).