methyl 2-fluoro-3-pyrazol-1-ylpropanoate

C7H9FN2O2 — CID 175669386

IUPACmethyl 2-fluoro-3-pyrazol-1-ylpropanoate
SMILESCOC(=O)C(F)Cn1cccn1
InChIInChI=1S/C7H9FN2O2/c1-12-7(11)6(8)5-10-4-2-3-9-10/h2-4,6H,5H2,1H3
InChIKeyFOJZYSYEMJGGSH-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.39
Rot. Bonds3

About methyl 2-fluoro-3-pyrazol-1-ylpropanoate

methyl 2-fluoro-3-pyrazol-1-ylpropanoate (PubChem CID 175669386) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is methyl 2-fluoro-3-pyrazol-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-pyrazol-1-ylpropanoate
PubChem CID175669386
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Namemethyl 2-fluoro-3-pyrazol-1-ylpropanoate
SMILESCOC(=O)C(F)Cn1cccn1
InChIInChI=1S/C7H9FN2O2/c1-12-7(11)6(8)5-10-4-2-3-9-10/h2-4,6H,5H2,1H3
InChIKeyFOJZYSYEMJGGSH-UHFFFAOYSA-N
XLogP0.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ammonio-3-(1H-pyrazol-1-yl)propanoate
CID 25203312
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
3-(1H-Pyrazol-1-yl)butanoic acid
CID 3159310
2-methyl-3-(1H-pyrazol-1-yl)propanoic acid
CID 6483897
4-(1H-pyrazol-1-yl)butan-2-one
CID 914789
Ethyl 1H-pyrazole-1-butanoate
CID 3066547
2-(1H-Pyrazol-1-yl)propanoic acid
CID 16793133
1-(1-Ethoxyethyl)-1H-pyrazole
CID 46941562
methyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate
CID 786247
methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
CID 23006107
4,4,4-trifluoro-3-(1H-pyrazol-1-yl)butanoic acid
CID 63072862
methyl 3-(3-amino-1H-pyrazol-1-yl)propanoate
CID 63949312

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-pyrazol-1-ylpropanoate?
The IUPAC name of methyl 2-fluoro-3-pyrazol-1-ylpropanoate (CID 175669386) is methyl 2-fluoro-3-pyrazol-1-ylpropanoate.
What is the SMILES notation for methyl 2-fluoro-3-pyrazol-1-ylpropanoate?
The canonical SMILES for methyl 2-fluoro-3-pyrazol-1-ylpropanoate is COC(=O)C(F)Cn1cccn1.
What is the InChIKey of methyl 2-fluoro-3-pyrazol-1-ylpropanoate?
The InChIKey is FOJZYSYEMJGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-12-7(11)6(8)5-10-4-2-3-9-10/h2-4,6H,5H2,1H3.
What are the key properties of methyl 2-fluoro-3-pyrazol-1-ylpropanoate?
methyl 2-fluoro-3-pyrazol-1-ylpropanoate has a molecular weight of 172.16 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-pyrazol-1-ylpropanoate is sourced from PubChem (CID 175669386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).