1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol

C17H30N2O2 — CID 107429844

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCCn1ncc(OC)c1C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-5-9-19-16(15(21-4)12-18-19)17(20)8-6-7-14(11-17)10-13(2)3/h12-14,20H,5-11H2,1-4H3
InChIKeyXTXMRVRACGBPFH-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.73
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429844) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429844
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCCn1ncc(OC)c1C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C17H30N2O2/c1-5-9-19-16(15(21-4)12-18-19)17(20)8-6-7-14(11-17)10-13(2)3/h12-14,20H,5-11H2,1-4H3
InChIKeyXTXMRVRACGBPFH-UHFFFAOYSA-N
XLogP3.73
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429592
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
1-(4-methoxy-1-propylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636087
1-(3-methoxypyrazin-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429636
4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
CID 114636327
N-ethyl-3-(4-methoxy-1-propylpyrazol-5-yl)-3-methylcyclopentan-1-amine
CID 114664844
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 103169677
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
CID 114665774
2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 105048780
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429844) is 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol is CCCn1ncc(OC)c1C1(O)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is XTXMRVRACGBPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-9-19-16(15(21-4)12-18-19)17(20)8-6-7-14(11-17)10-13(2)3/h12-14,20H,5-11H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).