4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol

C13H24N2O3 — CID 105130553

IUPAC4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
SMILESCCCn1ncc(OC)c1C(O)CC(C)COC
InChIInChI=1S/C13H24N2O3/c1-5-6-15-13(12(18-4)8-14-15)11(16)7-10(2)9-17-3/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyUHWWBYSUKATERF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.01
Rot. Bonds8

About 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol

4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol (PubChem CID 105130553) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
PubChem CID105130553
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol
SMILESCCCn1ncc(OC)c1C(O)CC(C)COC
InChIInChI=1S/C13H24N2O3/c1-5-6-15-13(12(18-4)8-14-15)11(16)7-10(2)9-17-3/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyUHWWBYSUKATERF-UHFFFAOYSA-N
XLogP2.01
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114643704
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
2-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)butan-1-ol
CID 114645771
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
3-(furan-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 105130512
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(thian-4-yl)ethanol
CID 105130487
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol?
The IUPAC name of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol (CID 105130553) is 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol?
The canonical SMILES for 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol is CCCn1ncc(OC)c1C(O)CC(C)COC.
What is the InChIKey of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol?
The InChIKey is UHWWBYSUKATERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-6-15-13(12(18-4)8-14-15)11(16)7-10(2)9-17-3/h8,10-11,16H,5-7,9H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol?
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 105130553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).