2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol

C15H26N2O3 — CID 114635866

IUPAC2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(c2c(OC)cnn2C(C)C)CCO1
InChIInChI=1S/C15H26N2O3/c1-6-14(4)10-15(18,7-8-20-14)13-12(19-5)9-16-17(13)11(2)3/h9,11,18H,6-8,10H2,1-5H3
InChIKeyDPFZOXYFCQIXJH-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.64
Rot. Bonds4

About 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol

2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol (PubChem CID 114635866) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol.

Molecular Properties

Compound Name2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol
PubChem CID114635866
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(c2c(OC)cnn2C(C)C)CCO1
InChIInChI=1S/C15H26N2O3/c1-6-14(4)10-15(18,7-8-20-14)13-12(19-5)9-16-17(13)11(2)3/h9,11,18H,6-8,10H2,1-5H3
InChIKeyDPFZOXYFCQIXJH-UHFFFAOYSA-N
XLogP2.64
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-propylpiperidin-4-ol
CID 114633692
4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635857
4-hydroxy-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-one
CID 114636426
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635862
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635852
3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 114664853
5-(3-bromo-1-methylcyclopentyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665739
2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
CID 114633215
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methyloxan-2-yl)methanol
CID 114645058
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 114637834
3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol
CID 107089583
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
CID 114635824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol?
The IUPAC name of 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol (CID 114635866) is 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol.
What is the SMILES notation for 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol?
The canonical SMILES for 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol is CCC1(C)CC(O)(c2c(OC)cnn2C(C)C)CCO1.
What is the InChIKey of 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol?
The InChIKey is DPFZOXYFCQIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-14(4)10-15(18,7-8-20-14)13-12(19-5)9-16-17(13)11(2)3/h9,11,18H,6-8,10H2,1-5H3.
What are the key properties of 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol?
2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol has a molecular weight of 282.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol is sourced from PubChem (CID 114635866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).