methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate

C12H12FN3O2 — CID 154640368

IUPACmethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate
SMILESCOC(=O)C(C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C12H12FN3O2/c1-8(12(17)18-2)9-3-4-11(14-5-9)16-7-10(13)6-15-16/h3-8H,1-2H3
InChIKeyVCQOIFLSDZJCJZ-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.68
Rot. Bonds3

About methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate

methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate (PubChem CID 154640368) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate
PubChem CID154640368
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Namemethyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate
SMILESCOC(=O)C(C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C12H12FN3O2/c1-8(12(17)18-2)9-3-4-11(14-5-9)16-7-10(13)6-15-16/h3-8H,1-2H3
InChIKeyVCQOIFLSDZJCJZ-UHFFFAOYSA-N
XLogP1.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)acetic acid
CID 16771295
2-{3,5-dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-4-yl}acetic acid
CID 16771850
Ethyl 2-(benzhydrylideneamino)-3-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propanoate
CID 57576840
3-Fluoro-5-propan-2-yl-2-pyrazol-1-ylpyridine
CID 57617253
[2-(3-fluoro-pyridin-2-yl)-2H-pyrazol-3-yl]-acetic acid ethyl ester
CID 59646860
(1R*,2R*,3R*)-Ethyl-2-phenyl-3-(1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazol-4-yl)cyclopropanecarboxylate
CID 68295759
ethyl 3-{3-(1-methylpropyl)-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}propionate
CID 69643866
ethyl 3-{3-isopropyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl)propionate
CID 69643913
ethyl 3-{3-isopropyl-1-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}propanoate
CID 69644161
ethyl 3-{3-isopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}propanoate
CID 69644231
2-[3-Propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]acetic acid
CID 69644242
ethyl 3-(3-methyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl)propionate
CID 69644342

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate?
The IUPAC name of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate (CID 154640368) is methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate.
What is the SMILES notation for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate?
The canonical SMILES for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate is COC(=O)C(C)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate?
The InChIKey is VCQOIFLSDZJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-8(12(17)18-2)9-3-4-11(14-5-9)16-7-10(13)6-15-16/h3-8H,1-2H3.
What are the key properties of methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate?
methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate has a molecular weight of 249.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propanoate is sourced from PubChem (CID 154640368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).