methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate

C12H12FN3O2 — CID 118408814

IUPACmethyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1cc(F)c(-c2c(C)cnn2C)cn1
InChIInChI=1S/C12H12FN3O2/c1-7-5-15-16(2)11(7)8-6-14-10(4-9(8)13)12(17)18-3/h4-6H,1-3H3
InChIKeyRLUSRZGQQIPSHA-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.72
Rot. Bonds2

About methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate

methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate (PubChem CID 118408814) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate
PubChem CID118408814
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Namemethyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1cc(F)c(-c2c(C)cnn2C)cn1
InChIInChI=1S/C12H12FN3O2/c1-7-5-15-16(2)11(7)8-6-14-10(4-9(8)13)12(17)18-3/h4-6H,1-3H3
InChIKeyRLUSRZGQQIPSHA-UHFFFAOYSA-N
XLogP1.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate (CID 118408814) is methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate is COC(=O)c1cc(F)c(-c2c(C)cnn2C)cn1.
What is the InChIKey of methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate?
The InChIKey is RLUSRZGQQIPSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-5-15-16(2)11(7)8-6-14-10(4-9(8)13)12(17)18-3/h4-6H,1-3H3.
What are the key properties of methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate?
methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate has a molecular weight of 249.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate is sourced from PubChem (CID 118408814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).