1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol

C15H26N2O2 — CID 105102471

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H26N2O2/c1-12(2)19-11-15(18)10-13-8-9-17(16-13)14-6-4-3-5-7-14/h8-9,12,14-15,18H,3-7,10-11H2,1-2H3
InChIKeyWDJZAGVMNZOCJQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.72
Rot. Bonds6

About 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol

1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 105102471) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID105102471
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H26N2O2/c1-12(2)19-11-15(18)10-13-8-9-17(16-13)14-6-4-3-5-7-14/h8-9,12,14-15,18H,3-7,10-11H2,1-2H3
InChIKeyWDJZAGVMNZOCJQ-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
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1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
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3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
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1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
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1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 105103444
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
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CID 103560149
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol (CID 105102471) is 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is WDJZAGVMNZOCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)19-11-15(18)10-13-8-9-17(16-13)14-6-4-3-5-7-14/h8-9,12,14-15,18H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol?
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 105102471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).