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

C10H9FN4O2 — CID 166505962

IUPACmethyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2nccc(N)c2F)n1
InChIInChI=1S/C10H9FN4O2/c1-17-10(16)7-3-5-15(14-7)9-8(11)6(12)2-4-13-9/h2-5H,1H3,(H2,12,13)
InChIKeyLKXMEDQROPJBQE-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.78
Rot. Bonds2

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

methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 166505962) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID166505962
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Namemethyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2nccc(N)c2F)n1
InChIInChI=1S/C10H9FN4O2/c1-17-10(16)7-3-5-15(14-7)9-8(11)6(12)2-4-13-9/h2-5H,1H3,(H2,12,13)
InChIKeyLKXMEDQROPJBQE-UHFFFAOYSA-N
XLogP0.78
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate (CID 166505962) is methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1ccn(-c2nccc(N)c2F)n1.
What is the InChIKey of methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is LKXMEDQROPJBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-17-10(16)7-3-5-15(14-7)9-8(11)6(12)2-4-13-9/h2-5H,1H3,(H2,12,13).
What are the key properties of methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate?
methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 236.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-3-fluoro-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 166505962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).