1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C11H14FN3O3 — CID 119258042

IUPAC1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCC(F)(C(=O)O)C2)cnn1C
InChIInChI=1S/C11H14FN3O3/c1-7-8(5-13-14(7)2)9(16)15-4-3-11(12,6-15)10(17)18/h5H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyDHHPSYCVAZCSOK-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.37
Rot. Bonds2

About 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258042) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258042
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCC(F)(C(=O)O)C2)cnn1C
InChIInChI=1S/C11H14FN3O3/c1-7-8(5-13-14(7)2)9(16)15-4-3-11(12,6-15)10(17)18/h5H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyDHHPSYCVAZCSOK-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119258042) is 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is Cc1c(C(=O)N2CCC(F)(C(=O)O)C2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is DHHPSYCVAZCSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-7-8(5-13-14(7)2)9(16)15-4-3-11(12,6-15)10(17)18/h5H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazole-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).