1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol

C13H22N2O2 — CID 113391342

IUPAC1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
SMILESCCn1cc(CC(O)CC2CCCCO2)cn1
InChIInChI=1S/C13H22N2O2/c1-2-15-10-11(9-14-15)7-12(16)8-13-5-3-4-6-17-13/h9-10,12-13,16H,2-8H2,1H3
InChIKeyRZAPCHUFXOMSIX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.77
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol

1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol (PubChem CID 113391342) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
PubChem CID113391342
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
SMILESCCn1cc(CC(O)CC2CCCCO2)cn1
InChIInChI=1S/C13H22N2O2/c1-2-15-10-11(9-14-15)7-12(16)8-13-5-3-4-6-17-13/h9-10,12-13,16H,2-8H2,1H3
InChIKeyRZAPCHUFXOMSIX-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
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CID 103008015
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62606205
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-2-amine
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CID 107192051
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780530
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
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CID 65334757

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol (CID 113391342) is 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol is CCn1cc(CC(O)CC2CCCCO2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol?
The InChIKey is RZAPCHUFXOMSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-15-10-11(9-14-15)7-12(16)8-13-5-3-4-6-17-13/h9-10,12-13,16H,2-8H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol?
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol is sourced from PubChem (CID 113391342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).