5-methoxy-4-methyl-1-propylpyrazole

C8H14N2O — CID 141420731

IUPAC5-methoxy-4-methyl-1-propylpyrazole
SMILESCCCn1ncc(C)c1OC
InChIInChI=1S/C8H14N2O/c1-4-5-10-8(11-3)7(2)6-9-10/h6H,4-5H2,1-3H3
InChIKeyAQJKXFPTWVQVCA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.61
Rot. Bonds3

About 5-methoxy-4-methyl-1-propylpyrazole

5-methoxy-4-methyl-1-propylpyrazole (PubChem CID 141420731) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-propylpyrazole.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-propylpyrazole
PubChem CID141420731
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methoxy-4-methyl-1-propylpyrazole
SMILESCCCn1ncc(C)c1OC
InChIInChI=1S/C8H14N2O/c1-4-5-10-8(11-3)7(2)6-9-10/h6H,4-5H2,1-3H3
InChIKeyAQJKXFPTWVQVCA-UHFFFAOYSA-N
XLogP1.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid
CID 115069185
4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole
CID 141420742
2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
CID 114662451
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784
ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole
CID 144607378
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183
(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-propylpyrazole?
The IUPAC name of 5-methoxy-4-methyl-1-propylpyrazole (CID 141420731) is 5-methoxy-4-methyl-1-propylpyrazole.
What is the SMILES notation for 5-methoxy-4-methyl-1-propylpyrazole?
The canonical SMILES for 5-methoxy-4-methyl-1-propylpyrazole is CCCn1ncc(C)c1OC.
What is the InChIKey of 5-methoxy-4-methyl-1-propylpyrazole?
The InChIKey is AQJKXFPTWVQVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-10-8(11-3)7(2)6-9-10/h6H,4-5H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-1-propylpyrazole?
5-methoxy-4-methyl-1-propylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-propylpyrazole is sourced from PubChem (CID 141420731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).