1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole

C9H15FN2O — CID 178165942

IUPAC1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole
SMILESCOCC(F)Cn1nc(C)cc1C
InChIInChI=1S/C9H15FN2O/c1-7-4-8(2)12(11-7)5-9(10)6-13-3/h4,9H,5-6H2,1-3H3
InChIKeySHTAFQXQNQIEHE-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.48
Rot. Bonds4

About 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole

1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole (PubChem CID 178165942) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole
PubChem CID178165942
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole
SMILESCOCC(F)Cn1nc(C)cc1C
InChIInChI=1S/C9H15FN2O/c1-7-4-8(2)12(11-7)5-9(10)6-13-3/h4,9H,5-6H2,1-3H3
InChIKeySHTAFQXQNQIEHE-UHFFFAOYSA-N
XLogP1.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 21014234
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2,8,9-Trioxa-5-aza-1-germabicyclo(3.3.3)undecane, 1-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-
CID 16684629
1-(3-Iodoprop-2-ynyl)-3,5-dimethyl-pyrazole
CID 497107

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole (CID 178165942) is 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole is COCC(F)Cn1nc(C)cc1C.
What is the InChIKey of 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole?
The InChIKey is SHTAFQXQNQIEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7-4-8(2)12(11-7)5-9(10)6-13-3/h4,9H,5-6H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole?
1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole has a molecular weight of 186.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxypropyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 178165942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).