1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol

C15H27N3O2 — CID 114665774

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2c(OC)cnn2CC)CC1
InChIInChI=1S/C15H27N3O2/c1-4-10-16-12-6-8-15(19,9-7-12)14-13(20-3)11-17-18(14)5-2/h11-12,16,19H,4-10H2,1-3H3
InChIKeyFSGCTYLTBKUNIF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.04
Rot. Bonds6

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol

1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol (PubChem CID 114665774) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
PubChem CID114665774
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2c(OC)cnn2CC)CC1
InChIInChI=1S/C15H27N3O2/c1-4-10-16-12-6-8-15(19,9-7-12)14-13(20-3)11-17-18(14)5-2/h11-12,16,19H,4-10H2,1-3H3
InChIKeyFSGCTYLTBKUNIF-UHFFFAOYSA-N
XLogP2.04
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 114633162
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
3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 114664853
1-(2-methoxy-4,6-dimethylphenyl)-4-(propylamino)cyclohexan-1-ol
CID 106681534
4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635857
N-ethyl-3-(4-methoxy-1-propylpyrazol-5-yl)-3-methylcyclopentan-1-amine
CID 114664844
1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429844
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
1-(4-methoxy-1-propylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636087

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol (CID 114665774) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(c2c(OC)cnn2CC)CC1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol?
The InChIKey is FSGCTYLTBKUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-10-16-12-6-8-15(19,9-7-12)14-13(20-3)11-17-18(14)5-2/h11-12,16,19H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 114665774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).