(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol

C13H22N2O3 — CID 114104696

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol
SMILESCCC1OCCC1C(O)c1c(OC)cnn1CC
InChIInChI=1S/C13H22N2O3/c1-4-10-9(6-7-18-10)13(16)12-11(17-3)8-14-15(12)5-2/h8-10,13,16H,4-7H2,1-3H3
InChIKeyKRXSVURKAPXWGN-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.76
Rot. Bonds5

About (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol

(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol (PubChem CID 114104696) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol
PubChem CID114104696
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol
SMILESCCC1OCCC1C(O)c1c(OC)cnn1CC
InChIInChI=1S/C13H22N2O3/c1-4-10-9(6-7-18-10)13(16)12-11(17-3)8-14-15(12)5-2/h8-10,13,16H,4-7H2,1-3H3
InChIKeyKRXSVURKAPXWGN-UHFFFAOYSA-N
XLogP1.76
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
CID 105048076
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
CID 105130248
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
(3,5-dimethylcyclohex-3-en-1-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 103277409
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 114657785

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol (CID 114104696) is (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol is CCC1OCCC1C(O)c1c(OC)cnn1CC.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol?
The InChIKey is KRXSVURKAPXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-10-9(6-7-18-10)13(16)12-11(17-3)8-14-15(12)5-2/h8-10,13,16H,4-7H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(2-ethyloxolan-3-yl)methanol is sourced from PubChem (CID 114104696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).