(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

C16H28N2O3 — CID 114645895

IUPAC(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCOC1(C(O)c2c(OC)cnn2CC)CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-5-18-14(13(20-4)11-17-18)15(19)16(21-6-2)9-7-8-12(3)10-16/h11-12,15,19H,5-10H2,1-4H3
InChIKeyDTIZNKKOQMUIRN-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.93
Rot. Bonds6

About (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol

(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (PubChem CID 114645895) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
PubChem CID114645895
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
SMILESCCOC1(C(O)c2c(OC)cnn2CC)CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-5-18-14(13(20-4)11-17-18)15(19)16(21-6-2)9-7-8-12(3)10-16/h11-12,15,19H,5-10H2,1-4H3
InChIKeyDTIZNKKOQMUIRN-UHFFFAOYSA-N
XLogP2.93
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 114645874
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645881
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114642804
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
(1-ethyl-4-methoxypyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 115837173
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
CID 116755152
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol (CID 114645895) is (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is CCOC1(C(O)c2c(OC)cnn2CC)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
The InChIKey is DTIZNKKOQMUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-18-14(13(20-4)11-17-18)15(19)16(21-6-2)9-7-8-12(3)10-16/h11-12,15,19H,5-10H2,1-4H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol?
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol has a molecular weight of 296.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol is sourced from PubChem (CID 114645895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).