propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

C13H14FN3O2 — CID 56692891

IUPACpropyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
SMILESCCCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C13H14FN3O2/c1-2-7-19-13(18)12-10(15)11(16-17-12)8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,16,17)
InChIKeyUCVAXXLDWMJLIZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.36
Rot. Bonds4

About propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate (PubChem CID 56692891) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
PubChem CID56692891
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Namepropyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
SMILESCCCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C13H14FN3O2/c1-2-7-19-13(18)12-10(15)11(16-17-12)8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,16,17)
InChIKeyUCVAXXLDWMJLIZ-UHFFFAOYSA-N
XLogP2.36
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-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 propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate (CID 56692891) is propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate is CCCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1N.
What is the InChIKey of propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is UCVAXXLDWMJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-2-7-19-13(18)12-10(15)11(16-17-12)8-3-5-9(14)6-4-8/h3-6H,2,7,15H2,1H3,(H,16,17).
What are the key properties of propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 56692891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).