1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol

C15H26N2O2 — CID 64784919

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H26N2O2/c1-2-10-19-12-15(18)11-13-8-9-17(16-13)14-6-4-3-5-7-14/h8-9,14-15,18H,2-7,10-12H2,1H3
InChIKeyWKXNRRTXUPWXNE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.72
Rot. Bonds7

About 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol

1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol (PubChem CID 64784919) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
PubChem CID64784919
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H26N2O2/c1-2-10-19-12-15(18)11-13-8-9-17(16-13)14-6-4-3-5-7-14/h8-9,14-15,18H,2-7,10-12H2,1H3
InChIKeyWKXNRRTXUPWXNE-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-(1-cyclopentylpyrazol-3-yl)-3-methoxyhexan-2-ol
CID 116711674
1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
CID 105102348
1-(1-cyclopentylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560149
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol
CID 115805003

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol (CID 64784919) is 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol is CCCOCC(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol?
The InChIKey is WKXNRRTXUPWXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-10-19-12-15(18)11-13-8-9-17(16-13)14-6-4-3-5-7-14/h8-9,14-15,18H,2-7,10-12H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol?
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.72, 7 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-propoxypropan-2-ol is sourced from PubChem (CID 64784919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).