methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate

C15H12FN3O2 — CID 20888074

IUPACmethyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C15H12FN3O2/c1-21-15(20)13-10-17-19(12-6-4-11(16)5-7-12)14(13)18-8-2-3-9-18/h2-10H,1H3
InChIKeyGKKNRZJPPLXYEM-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.59
Rot. Bonds3

About methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate

methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate (PubChem CID 20888074) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate
PubChem CID20888074
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Namemethyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C15H12FN3O2/c1-21-15(20)13-10-17-19(12-6-4-11(16)5-7-12)14(13)18-8-2-3-9-18/h2-10H,1H3
InChIKeyGKKNRZJPPLXYEM-UHFFFAOYSA-N
XLogP2.59
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-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 methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate (CID 20888074) is methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate is COC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
The InChIKey is GKKNRZJPPLXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-21-15(20)13-10-17-19(12-6-4-11(16)5-7-12)14(13)18-8-2-3-9-18/h2-10H,1H3.
What are the key properties of methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate has a molecular weight of 285.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate is sourced from PubChem (CID 20888074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).