5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid

C7H10FN3O2 — CID 84660869

IUPAC5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1CCCF
InChIInChI=1S/C7H10FN3O2/c8-2-1-3-11-6(9)5(4-10-11)7(12)13/h4H,1-3,9H2,(H,12,13)
InChIKeyICGHZLHVNYOYJV-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.52
Rot. Bonds4

About 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid

5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid (PubChem CID 84660869) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid
PubChem CID84660869
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1CCCF
InChIInChI=1S/C7H10FN3O2/c8-2-1-3-11-6(9)5(4-10-11)7(12)13/h4H,1-3,9H2,(H,12,13)
InChIKeyICGHZLHVNYOYJV-UHFFFAOYSA-N
XLogP0.52
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid 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 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid (CID 84660869) is 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid is Nc1c(C(=O)O)cnn1CCCF.
What is the InChIKey of 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid?
The InChIKey is ICGHZLHVNYOYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-2-1-3-11-6(9)5(4-10-11)7(12)13/h4H,1-3,9H2,(H,12,13).
What are the key properties of 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid?
5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid has a molecular weight of 187.17 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 84660869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).