(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

C16H28N2O3 — CID 114645814

IUPAC(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1(OCC)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-4-11-18-14(13(20-3)12-17-18)15(19)16(21-5-2)9-7-6-8-10-16/h12,15,19H,4-11H2,1-3H3
InChIKeyHWLPCOQOVSCNEL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.07
Rot. Bonds7

About (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol

(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 114645814) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID114645814
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1(OCC)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-4-11-18-14(13(20-3)12-17-18)15(19)16(21-5-2)9-7-6-8-10-16/h12,15,19H,4-11H2,1-3H3
InChIKeyHWLPCOQOVSCNEL-UHFFFAOYSA-N
XLogP3.07
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1-ethoxycyclopentyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105275736
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114645895
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114645869
(1,4-dimethylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 112742297
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
(1-ethoxycyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114661832

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 114645814) is (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)C1(OCC)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is HWLPCOQOVSCNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-11-18-14(13(20-3)12-17-18)15(19)16(21-5-2)9-7-6-8-10-16/h12,15,19H,4-11H2,1-3H3.
What are the key properties of (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 296.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114645814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).