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

C12H16FN3O3 — CID 120529730

IUPAC3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCn1cc(C(=O)N2CCC(F)(C(=O)O)C2)cn1
InChIInChI=1S/C12H16FN3O3/c1-2-4-16-7-9(6-14-16)10(17)15-5-3-12(13,8-15)11(18)19/h6-7H,2-5,8H2,1H3,(H,18,19)
InChIKeyFGRPYOMNAFLOJM-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.93
Rot. Bonds4

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

3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120529730) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120529730
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCn1cc(C(=O)N2CCC(F)(C(=O)O)C2)cn1
InChIInChI=1S/C12H16FN3O3/c1-2-4-16-7-9(6-14-16)10(17)15-5-3-12(13,8-15)11(18)19/h6-7H,2-5,8H2,1H3,(H,18,19)
InChIKeyFGRPYOMNAFLOJM-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.93
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-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 120529730) is 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is CCCn1cc(C(=O)N2CCC(F)(C(=O)O)C2)cn1.
What is the InChIKey of 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FGRPYOMNAFLOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-2-4-16-7-9(6-14-16)10(17)15-5-3-12(13,8-15)11(18)19/h6-7H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).