ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate

C20H18Cl2N2O2 — CID 91872726

IUPACethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H18Cl2N2O2/c1-3-26-20(25)18-11-19(14-6-4-13(2)5-7-14)24(23-18)12-15-8-9-16(21)10-17(15)22/h4-11H,3,12H2,1-2H3
InChIKeyXJQAHIPXJIZUFW-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.39
Rot. Bonds5

About ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate

ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate (PubChem CID 91872726) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate
PubChem CID91872726
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Nameethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H18Cl2N2O2/c1-3-26-20(25)18-11-19(14-6-4-13(2)5-7-14)24(23-18)12-15-8-9-16(21)10-17(15)22/h4-11H,3,12H2,1-2H3
InChIKeyXJQAHIPXJIZUFW-UHFFFAOYSA-N
XLogP5.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-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 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
ethyl 1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 91872719
ethyl 5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872783
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
CID 91872759
ethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 50905377
1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 82589221
ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 175125228
ethyl 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxylate
CID 101494897
ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate
CID 50905140
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate (CID 91872726) is ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(C)cc2)n(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate?
The InChIKey is XJQAHIPXJIZUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-3-26-20(25)18-11-19(14-6-4-13(2)5-7-14)24(23-18)12-15-8-9-16(21)10-17(15)22/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate?
ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate has a molecular weight of 389.28 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 91872726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).