methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate

C11H10FN3O2 — CID 163295198

IUPACmethyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)ncc2F)n[nH]1
InChIInChI=1S/C11H10FN3O2/c1-6-3-7(8(12)5-13-6)9-4-10(15-14-9)11(16)17-2/h3-5H,1-2H3,(H,14,15)
InChIKeyYKYPVODUBRCMDD-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.71
Rot. Bonds2

About methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate

methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate (PubChem CID 163295198) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate
PubChem CID163295198
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Namemethyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)ncc2F)n[nH]1
InChIInChI=1S/C11H10FN3O2/c1-6-3-7(8(12)5-13-6)9-4-10(15-14-9)11(16)17-2/h3-5H,1-2H3,(H,14,15)
InChIKeyYKYPVODUBRCMDD-UHFFFAOYSA-N
XLogP1.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate (CID 163295198) is methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2cc(C)ncc2F)n[nH]1.
What is the InChIKey of methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
The InChIKey is YKYPVODUBRCMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-3-7(8(12)5-13-6)9-4-10(15-14-9)11(16)17-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate has a molecular weight of 235.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 163295198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).