1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol

C16H28N2O2 — CID 114636303

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(c2c(OC)cnn2CC)CC1
InChIInChI=1S/C16H28N2O2/c1-4-7-13-8-6-10-16(19,11-9-13)15-14(20-3)12-17-18(15)5-2/h12-13,19H,4-11H2,1-3H3
InChIKeyAAYHRDSJVOQIIW-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.48
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol

1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol (PubChem CID 114636303) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
PubChem CID114636303
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(c2c(OC)cnn2CC)CC1
InChIInChI=1S/C16H28N2O2/c1-4-7-13-8-6-10-16(19,11-9-13)15-14(20-3)12-17-18(15)5-2/h12-13,19H,4-11H2,1-3H3
InChIKeyAAYHRDSJVOQIIW-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
CID 114636327
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429592
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 114633162
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
CID 114665774
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297
1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429844
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635857
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-ethylcycloheptan-1-ol
CID 114636272
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
CID 114666458
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol (CID 114636303) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(c2c(OC)cnn2CC)CC1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol?
The InChIKey is AAYHRDSJVOQIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-7-13-8-6-10-16(19,11-9-13)15-14(20-3)12-17-18(15)5-2/h12-13,19H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol is sourced from PubChem (CID 114636303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).