4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one

C13H22N2O3 — CID 105133556

IUPAC4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCn1ncc(OC)c1C(=O)CCC(C)OC
InChIInChI=1S/C13H22N2O3/c1-5-8-15-13(12(18-4)9-14-15)11(16)7-6-10(2)17-3/h9-10H,5-8H2,1-4H3
InChIKeySDIZRXBDVKRHPQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.30
Rot. Bonds8

About 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one

4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one (PubChem CID 105133556) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
PubChem CID105133556
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCn1ncc(OC)c1C(=O)CCC(C)OC
InChIInChI=1S/C13H22N2O3/c1-5-8-15-13(12(18-4)9-14-15)11(16)7-6-10(2)17-3/h9-10H,5-8H2,1-4H3
InChIKeySDIZRXBDVKRHPQ-UHFFFAOYSA-N
XLogP2.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114642520
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114639732
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114639487
2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114670350
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(propan-2-ylamino)propan-1-one
CID 114668539
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The IUPAC name of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one (CID 105133556) is 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one.
What is the SMILES notation for 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The canonical SMILES for 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one is CCCn1ncc(OC)c1C(=O)CCC(C)OC.
What is the InChIKey of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
The InChIKey is SDIZRXBDVKRHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-8-15-13(12(18-4)9-14-15)11(16)7-6-10(2)17-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one?
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one has a molecular weight of 254.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 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)pentan-1-one is sourced from PubChem (CID 105133556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).