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

C12H10Cl2N2O2 — CID 2727221

IUPACethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)11-9(6-15-16-11)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyCCNKBRCHOPBGGW-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.56
Rot. Bonds3

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

ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate (PubChem CID 2727221) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
PubChem CID2727221
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Nameethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)11-9(6-15-16-11)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyCCNKBRCHOPBGGW-UHFFFAOYSA-N
XLogP3.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate (CID 2727221) is ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is CCNKBRCHOPBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-2-18-12(17)11-9(6-15-16-11)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 285.13 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 2727221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).