(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate

C11H11FN4O2 — CID 114084635

IUPAC(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2cncc(F)c2)c1
InChIInChI=1S/C11H11FN4O2/c12-9-1-8(2-14-3-9)7-18-11(17)6-16-5-10(13)4-15-16/h1-5H,6-7,13H2
InChIKeyAFUMDXISDURWIG-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.74
Rot. Bonds4

About (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate

(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 114084635) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID114084635
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESNc1cnn(CC(=O)OCc2cncc(F)c2)c1
InChIInChI=1S/C11H11FN4O2/c12-9-1-8(2-14-3-9)7-18-11(17)6-16-5-10(13)4-15-16/h1-5H,6-7,13H2
InChIKeyAFUMDXISDURWIG-UHFFFAOYSA-N
XLogP0.74
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 114084635) is (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate is Nc1cnn(CC(=O)OCc2cncc(F)c2)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is AFUMDXISDURWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-9-1-8(2-14-3-9)7-18-11(17)6-16-5-10(13)4-15-16/h1-5H,6-7,13H2.
What are the key properties of (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 250.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 114084635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).