ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate

C14H15ClN2O2 — CID 69282792

IUPACethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)12(16-17(13)3)10-5-7-11(15)8-6-10/h5-8H,4H2,1-3H3
InChIKeyZEHLUKCSIDPLFP-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.23
Rot. Bonds3

About ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate

ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate (PubChem CID 69282792) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate
PubChem CID69282792
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Nameethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)12(16-17(13)3)10-5-7-11(15)8-6-10/h5-8H,4H2,1-3H3
InChIKeyZEHLUKCSIDPLFP-UHFFFAOYSA-N
XLogP3.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-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

Related Compounds

ethyl 3-(5-chloro-3-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-5-carboxylate
CID 54116858
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate
CID 139231790
methyl 4-bromo-3-(4-chlorophenyl)-1-methylpyrazole-5-carboxylate
CID 71668549
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 4-amino-3-(4-chlorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrazole-5-carboxylate
CID 132501111
ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
CID 69142158
5-(chloromethyl)-3-(4-chlorophenyl)-1,4-dimethylpyrazole
CID 69280234
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
ethyl 2-(4-chlorophenyl)-3-methylimidazole-4-carboxylate
CID 122476726
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 3-[[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]benzoate
CID 53020527

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate (CID 69282792) is ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate is CCOC(=O)c1c(C)c(-c2ccc(Cl)cc2)nn1C.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate?
The InChIKey is ZEHLUKCSIDPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)12(16-17(13)3)10-5-7-11(15)8-6-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate?
ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate has a molecular weight of 278.74 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 69282792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).