(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

C16H28N2O3 — CID 114645878

IUPAC(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-5-9-18-14(13(20-3)11-17-18)15(19)16(21-4)8-6-7-12(2)10-16/h11-12,15,19H,5-10H2,1-4H3
InChIKeyOTOMCLFZAKCKTM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.93
Rot. Bonds6

About (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 114645878) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID114645878
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1(OC)CCCC(C)C1
InChIInChI=1S/C16H28N2O3/c1-5-9-18-14(13(20-3)11-17-18)15(19)16(21-4)8-6-7-12(2)10-16/h11-12,15,19H,5-10H2,1-4H3
InChIKeyOTOMCLFZAKCKTM-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

(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645881
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114645895
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
(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-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 114661992
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
CID 116754992
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 114645878) is (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)C1(OC)CCCC(C)C1.
What is the InChIKey of (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is OTOMCLFZAKCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-9-18-14(13(20-3)11-17-18)15(19)16(21-4)8-6-7-12(2)10-16/h11-12,15,19H,5-10H2,1-4H3.
What are the key properties of (1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-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-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114645878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).