ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate

C11H16FN3O3 — CID 174336352

IUPACethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(O)NCC1c1cnn(C)c1F
InChIInChI=1S/C11H16FN3O3/c1-3-18-11(17)8-6(4-13-10(8)16)7-5-14-15(2)9(7)12/h5-6,8,10,13,16H,3-4H2,1-2H3/t6?,8-,10?/m1/s1
InChIKeyCLPPPEXBRVMGRR-ZRSCNFGCSA-N
MW257.26 g/mol
LogP-0.26
Rot. Bonds3

About ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate

ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate (PubChem CID 174336352) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate
PubChem CID174336352
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Nameethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(O)NCC1c1cnn(C)c1F
InChIInChI=1S/C11H16FN3O3/c1-3-18-11(17)8-6(4-13-10(8)16)7-5-14-15(2)9(7)12/h5-6,8,10,13,16H,3-4H2,1-2H3/t6?,8-,10?/m1/s1
InChIKeyCLPPPEXBRVMGRR-ZRSCNFGCSA-N
XLogP-0.26
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate 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 ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate (CID 174336352) is ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate is CCOC(=O)[C@H]1C(O)NCC1c1cnn(C)c1F.
What is the InChIKey of ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate?
The InChIKey is CLPPPEXBRVMGRR-ZRSCNFGCSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-3-18-11(17)8-6(4-13-10(8)16)7-5-14-15(2)9(7)12/h5-6,8,10,13,16H,3-4H2,1-2H3/t6?,8-,10?/m1/s1.
What are the key properties of ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate?
ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate has a molecular weight of 257.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-4-(5-fluoro-1-methylpyrazol-4-yl)-2-hydroxypyrrolidine-3-carboxylate is sourced from PubChem (CID 174336352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).