methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate

C15H17FN2O2 — CID 61381036

IUPACmethyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccccc2F)c1C
InChIInChI=1S/C15H17FN2O2/c1-10-12(8-9-15(19)20-3)11(2)18(17-10)14-7-5-4-6-13(14)16/h4-7H,8-9H2,1-3H3
InChIKeyAZSDFDBTHCTYQB-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.73
Rot. Bonds4

About methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate

methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate (PubChem CID 61381036) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
PubChem CID61381036
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Namemethyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccccc2F)c1C
InChIInChI=1S/C15H17FN2O2/c1-10-12(8-9-15(19)20-3)11(2)18(17-10)14-7-5-4-6-13(14)16/h4-7H,8-9H2,1-3H3
InChIKeyAZSDFDBTHCTYQB-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381058
3-[1-(2-ethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093393
methyl 3-[3,5-dimethyl-1-[4-[methyl(phenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 39965080
methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 79826607
methyl 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanoate
CID 63272411
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
(2-amino-2-oxoethyl) 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 9065250
methyl 3-[1-[4-(dimethylaminocarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 9180457
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2S)-thiolan-2-yl]methyl]acetamide
CID 96539271
methyl 3-[3,5-dimethyl-1-[4-[(2-propan-2-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 18228784
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-oxoacetic acid
CID 82133196
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 51120059

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate (CID 61381036) is methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate is COC(=O)CCc1c(C)nn(-c2ccccc2F)c1C.
What is the InChIKey of methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
The InChIKey is AZSDFDBTHCTYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-12(8-9-15(19)20-3)11(2)18(17-10)14-7-5-4-6-13(14)16/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate?
methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate has a molecular weight of 276.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate is sourced from PubChem (CID 61381036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).