1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol

C16H28N2O2 — CID 116756479

IUPAC1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
SMILESCCc1cc(CC(O)C(OC)C2CCCCC2)n(C)n1
InChIInChI=1S/C16H28N2O2/c1-4-13-10-14(18(2)17-13)11-15(19)16(20-3)12-8-6-5-7-9-12/h10,12,15-16,19H,4-9,11H2,1-3H3
InChIKeyDPBILXBJSLFQPE-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.48
Rot. Bonds6

About 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol

1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol (PubChem CID 116756479) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
PubChem CID116756479
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
SMILESCCc1cc(CC(O)C(OC)C2CCCCC2)n(C)n1
InChIInChI=1S/C16H28N2O2/c1-4-13-10-14(18(2)17-13)11-15(19)16(20-3)12-8-6-5-7-9-12/h10,12,15-16,19H,4-9,11H2,1-3H3
InChIKeyDPBILXBJSLFQPE-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-amine
CID 116722404
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol
CID 116756434
3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565387
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
CID 105107607
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769741
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060083

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol (CID 116756479) is 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol is CCc1cc(CC(O)C(OC)C2CCCCC2)n(C)n1.
What is the InChIKey of 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol?
The InChIKey is DPBILXBJSLFQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-13-10-14(18(2)17-13)11-15(19)16(20-3)12-8-6-5-7-9-12/h10,12,15-16,19H,4-9,11H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol?
1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol is sourced from PubChem (CID 116756479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).