ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate

C19H18Cl2N2O2 — CID 67711887

IUPACethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1=CC(C)(c2ccccc2)N(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C19H18Cl2N2O2/c1-3-25-18(24)16-12-19(2,13-7-5-4-6-8-13)23(22-16)17-10-9-14(20)11-15(17)21/h4-12,22H,3H2,1-2H3
InChIKeyRDVXVGYLLSILJL-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.68
Rot. Bonds4

About ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate

ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate (PubChem CID 67711887) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate
PubChem CID67711887
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Nameethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1=CC(C)(c2ccccc2)N(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C19H18Cl2N2O2/c1-3-25-18(24)16-12-19(2,13-7-5-4-6-8-13)23(22-16)17-10-9-14(20)11-15(17)21/h4-12,22H,3H2,1-2H3
InChIKeyRDVXVGYLLSILJL-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate (CID 67711887) is ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate is CCOC(=O)C1=CC(C)(c2ccccc2)N(c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate?
The InChIKey is RDVXVGYLLSILJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-3-25-18(24)16-12-19(2,13-7-5-4-6-8-13)23(22-16)17-10-9-14(20)11-15(17)21/h4-12,22H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate?
ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate has a molecular weight of 377.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorophenyl)-3-methyl-3-phenyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 67711887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).