[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate

C19H15ClFN3O3 — CID 135371541

IUPAC[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)OCC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClFN3O3/c1-11-17(18(22)24(23-11)13-8-6-12(21)7-9-13)19(26)27-10-16(25)14-4-2-3-5-15(14)20/h2-9H,10,22H2,1H3
InChIKeyKEWYGAWVZVPYNR-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.60
Rot. Bonds5

About [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate

[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate (PubChem CID 135371541) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
PubChem CID135371541
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)OCC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClFN3O3/c1-11-17(18(22)24(23-11)13-8-6-12(21)7-9-13)19(26)27-10-16(25)14-4-2-3-5-15(14)20/h2-9H,10,22H2,1H3
InChIKeyKEWYGAWVZVPYNR-UHFFFAOYSA-N
XLogP3.60
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-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 [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate?
The IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate (CID 135371541) is [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate?
The canonical SMILES for [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate is Cc1nn(-c2ccc(F)cc2)c(N)c1C(=O)OCC(=O)c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate?
The InChIKey is KEWYGAWVZVPYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-11-17(18(22)24(23-11)13-8-6-12(21)7-9-13)19(26)27-10-16(25)14-4-2-3-5-15(14)20/h2-9H,10,22H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate?
[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate has a molecular weight of 387.80 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 135371541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).