1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol

C12H20N2O2 — CID 103160725

IUPAC1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol
SMILESCn1cc(OCC(O)CC2CCCC2)cn1
InChIInChI=1S/C12H20N2O2/c1-14-8-12(7-13-14)16-9-11(15)6-10-4-2-3-5-10/h7-8,10-11,15H,2-6,9H2,1H3
InChIKeyMDPNZZQKOONPLQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.74
Rot. Bonds5

About 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol

1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol (PubChem CID 103160725) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol
PubChem CID103160725
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol
SMILESCn1cc(OCC(O)CC2CCCC2)cn1
InChIInChI=1S/C12H20N2O2/c1-14-8-12(7-13-14)16-9-11(15)6-10-4-2-3-5-10/h7-8,10-11,15H,2-6,9H2,1H3
InChIKeyMDPNZZQKOONPLQ-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
CID 164631095
4-[(3,3-Difluorocyclopentyl)methoxy]-1-methylpyrazole
CID 132286798
4-[(2,2-Difluorocyclopentyl)methoxy]-1-methylpyrazole
CID 132354197
1-Methyl-4-(6-oxaspiro[3.4]octan-7-ylmethoxy)pyrazole
CID 175761787
trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol
CID 102732699
(1R,2R)-2-[(1-methyl-1H-pyrazol-4-yl)oxy]cyclohexan-1-ol
CID 102732700
trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol
CID 102732701
(1R,2R)-2-[(1-Ethyl-1H-pyrazol-4-yl)oxy]cyclohexan-1-ol
CID 102732702
trans-(1S,2S)-2-(1-propylpyrazol-4-yl)oxycyclohexan-1-ol
CID 102732703
trans-(1R,2R)-2-(1-propylpyrazol-4-yl)oxycyclohexan-1-ol
CID 102732704
trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol
CID 102732705
(1R,2R)-2-{[1-(propan-2-yl)-1H-pyrazol-4-yl]oxy}cyclohexan-1-ol
CID 102732706

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol (CID 103160725) is 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol is Cn1cc(OCC(O)CC2CCCC2)cn1.
What is the InChIKey of 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol?
The InChIKey is MDPNZZQKOONPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-8-12(7-13-14)16-9-11(15)6-10-4-2-3-5-10/h7-8,10-11,15H,2-6,9H2,1H3.
What are the key properties of 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol?
1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol is sourced from PubChem (CID 103160725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).