ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate

C19H16Cl2N2O2 — CID 139231790

IUPACethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccccc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)18-12(2)17(13-7-5-4-6-8-13)22-23(18)16-10-9-14(20)11-15(16)21/h4-11H,3H2,1-2H3
InChIKeyHNVKAKSUKRQRTG-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.33
Rot. Bonds4

About ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate

ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate (PubChem CID 139231790) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate
PubChem CID139231790
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Nameethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(C)c(-c2ccccc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)18-12(2)17(13-7-5-4-6-8-13)22-23(18)16-10-9-14(20)11-15(16)21/h4-11H,3H2,1-2H3
InChIKeyHNVKAKSUKRQRTG-UHFFFAOYSA-N
XLogP5.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-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 1-(2,4-dichlorophenyl)-5-ethyl-4-methylpyrazole-3-carboxylate
CID 10568187
ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate
CID 69282792
ethyl 5-chloro-1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylate
CID 121346461
2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
CID 20542736
ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylate
CID 59781609
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
CID 45380504
ethyl 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxylate
CID 18771436
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
ethyl 5-[(2,4-dichlorophenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate;ethyl 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate
CID 68929508
ethyl 6-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxylate
CID 91402425
ethyl 4-(benzenesulfonyl)-1-(2,4-dichlorophenyl)-5-(4-nitrophenyl)pyrazole-3-carboxylate
CID 2753876

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate (CID 139231790) is ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate is CCOC(=O)c1c(C)c(-c2ccccc2)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate?
The InChIKey is HNVKAKSUKRQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)18-12(2)17(13-7-5-4-6-8-13)22-23(18)16-10-9-14(20)11-15(16)21/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate?
ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate has a molecular weight of 375.26 g/mol, XLogP of 5.33, 4 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)-4-methyl-3-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 139231790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).