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

C11H8Cl2N2O2 — CID 6472157

IUPACmethyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15)
InChIKeyKHJJAYIZQBZPRW-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.17
Rot. Bonds2

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

methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate (PubChem CID 6472157) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
PubChem CID6472157
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Namemethyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15)
InChIKeyKHJJAYIZQBZPRW-UHFFFAOYSA-N
XLogP3.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(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 methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate (CID 6472157) is methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is KHJJAYIZQBZPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H,14,15).
What are the key properties of methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate?
methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 271.10 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 6472157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).