1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol

C12H20N2O4 — CID 115837776

IUPAC1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1COCCO1
InChIInChI=1S/C12H20N2O4/c1-3-4-14-11(9(16-2)7-13-14)12(15)10-8-17-5-6-18-10/h7,10,12,15H,3-6,8H2,1-2H3
InChIKeyGWIHZOLYMVMVOU-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.75
Rot. Bonds5

About 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol

1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 115837776) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID115837776
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1COCCO1
InChIInChI=1S/C12H20N2O4/c1-3-4-14-11(9(16-2)7-13-14)12(15)10-8-17-5-6-18-10/h7,10,12,15H,3-6,8H2,1-2H3
InChIKeyGWIHZOLYMVMVOU-UHFFFAOYSA-N
XLogP0.75
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
CID 114637952
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methanol
CID 115835854
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048056
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115834933
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
2-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)butan-1-ol
CID 114645771
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115839299
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114643704

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 115837776) is 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is GWIHZOLYMVMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-4-14-11(9(16-2)7-13-14)12(15)10-8-17-5-6-18-10/h7,10,12,15H,3-6,8H2,1-2H3.
What are the key properties of 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol?
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 256.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 115837776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).