3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid

C10H12FN3O3 — CID 119258546

IUPAC3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(F)(C(=O)O)C2)cn1
InChIInChI=1S/C10H12FN3O3/c1-13-5-7(4-12-13)8(15)14-3-2-10(11,6-14)9(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyUUONUPNAJRDVIQ-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.06
Rot. Bonds2

About 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258546) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258546
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(F)(C(=O)O)C2)cn1
InChIInChI=1S/C10H12FN3O3/c1-13-5-7(4-12-13)8(15)14-3-2-10(11,6-14)9(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyUUONUPNAJRDVIQ-UHFFFAOYSA-N
XLogP0.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258546) is 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is Cn1cc(C(=O)N2CCC(F)(C(=O)O)C2)cn1.
What is the InChIKey of 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UUONUPNAJRDVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-13-5-7(4-12-13)8(15)14-3-2-10(11,6-14)9(16)17/h4-5H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 241.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).