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

C9H13ClN2O2 — CID 117232364

IUPAC5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCOC2)c1Cl
InChIInChI=1S/C9H13ClN2O2/c10-9-8(13)4-11-12(9)5-7-2-1-3-14-6-7/h4,7,13H,1-3,5-6H2
InChIKeyNAAWBHVUNAKVOI-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.67
Rot. Bonds2

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

5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol (PubChem CID 117232364) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol
PubChem CID117232364
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCOC2)c1Cl
InChIInChI=1S/C9H13ClN2O2/c10-9-8(13)4-11-12(9)5-7-2-1-3-14-6-7/h4,7,13H,1-3,5-6H2
InChIKeyNAAWBHVUNAKVOI-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
CID 117232356
5-chloro-1-(oxan-3-yl)pyrazol-4-ol
CID 117232043
4-nitro-1-(oxan-3-ylmethyl)pyrazol-5-amine
CID 63741815
5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one
CID 114434443
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol
CID 117233213
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
1-ethyl-6-(oxan-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-one
CID 146108421
4-(chloromethyl)-1-(oxan-3-ylmethyl)imidazole
CID 130482826
5-methyl-1-(oxan-3-ylmethyl)tetrazole
CID 54156265
3-ethyl-1-(oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol?
The IUPAC name of 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol (CID 117232364) is 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol.
What is the SMILES notation for 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol?
The canonical SMILES for 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol is Oc1cnn(CC2CCCOC2)c1Cl.
What is the InChIKey of 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol?
The InChIKey is NAAWBHVUNAKVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c10-9-8(13)4-11-12(9)5-7-2-1-3-14-6-7/h4,7,13H,1-3,5-6H2.
What are the key properties of 5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol?
5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol has a molecular weight of 216.67 g/mol, XLogP of 1.67, 2 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-ylmethyl)pyrazol-4-ol is sourced from PubChem (CID 117232364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).