(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol

C13H22N2O3 — CID 114637952

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1CCC(C)O1
InChIInChI=1S/C13H22N2O3/c1-4-7-15-12(11(17-3)8-14-15)13(16)10-6-5-9(2)18-10/h8-10,13,16H,4-7H2,1-3H3
InChIKeyMCXBXFIWDDLUOP-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.90
Rot. Bonds5

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

(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol (PubChem CID 114637952) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
PubChem CID114637952
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)C1CCC(C)O1
InChIInChI=1S/C13H22N2O3/c1-4-7-15-12(11(17-3)8-14-15)13(16)10-6-5-9(2)18-10/h8-10,13,16H,4-7H2,1-3H3
InChIKeyMCXBXFIWDDLUOP-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
3-bicyclo[3.1.0]hexanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837684
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105047858
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
CID 105130487
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
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
CID 105130553

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol (CID 114637952) is (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol is CCCn1ncc(OC)c1C(O)C1CCC(C)O1.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol?
The InChIKey is MCXBXFIWDDLUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-7-15-12(11(17-3)8-14-15)13(16)10-6-5-9(2)18-10/h8-10,13,16H,4-7H2,1-3H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol?
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanol is sourced from PubChem (CID 114637952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).