ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate

C18H15FN2O2 — CID 11370315

IUPACethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)16-12-17(13-6-4-3-5-7-13)21(20-16)15-10-8-14(19)9-11-15/h3-12H,2H2,1H3
InChIKeyMPYMIALAJAXCFZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.86
Rot. Bonds4

About ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate

ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate (PubChem CID 11370315) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
PubChem CID11370315
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Nameethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)16-12-17(13-6-4-3-5-7-13)21(20-16)15-10-8-14(19)9-11-15/h3-12H,2H2,1H3
InChIKeyMPYMIALAJAXCFZ-UHFFFAOYSA-N
XLogP3.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
CID 91872759
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
ethyl 1-(4-fluorophenyl)-5-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxylate
CID 19886165
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
ethyl 5-[3-(butanoylamino)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 46094269
ethyl 1-(4-fluorophenyl)-5-[3-[(2-methylbenzoyl)amino]phenyl]pyrazole-3-carboxylate
CID 46094214
ethyl 1-(4-fluorophenyl)-5-[3-[[(2S)-2-methylpentanoyl]amino]phenyl]pyrazole-3-carboxylate
CID 92769830
ethyl 1-(4-fluorophenyl)-5-[3-[(2,3,5-trifluorobenzoyl)amino]phenyl]pyrazole-3-carboxylate
CID 46094373
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 5-[3-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 46094439
ethyl 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carboxylate
CID 10548663
ethyl 5-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 46084934

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate (CID 11370315) is ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate?
The InChIKey is MPYMIALAJAXCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-23-18(22)16-12-17(13-6-4-3-5-7-13)21(20-16)15-10-8-14(19)9-11-15/h3-12H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate?
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 11370315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).