tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate

C10H15FN2O2 — CID 135396663

IUPACtert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate
SMILESCc1cc(F)n(CC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H15FN2O2/c1-7-5-8(11)13(12-7)6-9(14)15-10(2,3)4/h5H,6H2,1-4H3
InChIKeyNINCNHMWKLUDRH-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate

tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate (PubChem CID 135396663) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate
PubChem CID135396663
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Nametert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate
SMILESCc1cc(F)n(CC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H15FN2O2/c1-7-5-8(11)13(12-7)6-9(14)15-10(2,3)4/h5H,6H2,1-4H3
InChIKeyNINCNHMWKLUDRH-UHFFFAOYSA-N
XLogP1.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate (CID 135396663) is tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate is Cc1cc(F)n(CC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate?
The InChIKey is NINCNHMWKLUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-7-5-8(11)13(12-7)6-9(14)15-10(2,3)4/h5H,6H2,1-4H3.
What are the key properties of tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate?
tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate has a molecular weight of 214.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-fluoro-3-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 135396663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).