methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate

C14H14Cl2N2O4 — CID 2745752

IUPACmethyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2c(Cl)cccc2Cl)c1C(OC)OC
InChIInChI=1S/C14H14Cl2N2O4/c1-20-13(19)8-7-17-18(11(8)14(21-2)22-3)12-9(15)5-4-6-10(12)16/h4-7,14H,1-3H3
InChIKeyPHQVGRIHLUMAJF-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.26
Rot. Bonds5

About methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate

methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate (PubChem CID 2745752) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate
PubChem CID2745752
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Namemethyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2c(Cl)cccc2Cl)c1C(OC)OC
InChIInChI=1S/C14H14Cl2N2O4/c1-20-13(19)8-7-17-18(11(8)14(21-2)22-3)12-9(15)5-4-6-10(12)16/h4-7,14H,1-3H3
InChIKeyPHQVGRIHLUMAJF-UHFFFAOYSA-N
XLogP3.26
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-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

methyl 5-(dimethoxymethyl)-1-[(2,6-dimethylphenyl)carbamoyl]pyrazole-4-carboxylate
CID 2745692
5-(dimethoxymethyl)-1-phenylpyrazole-4-carboxylic acid
CID 97046748
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 3-chloro-2-cyanobenzoate
CID 55264601
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
1-(3-methoxycarbonylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361289
methyl 1-(2-chloro-6-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693366
methyl 5-[(Z)-hydroxyiminomethyl]-1-phenylpyrazole-4-carboxylate
CID 135781475
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
ethyl 5-chloro-1-(3-chloro-2-fluorophenyl)pyrazole-4-carboxylate
CID 170994647

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate (CID 2745752) is methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate is COC(=O)c1cnn(-c2c(Cl)cccc2Cl)c1C(OC)OC.
What is the InChIKey of methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate?
The InChIKey is PHQVGRIHLUMAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c1-20-13(19)8-7-17-18(11(8)14(21-2)22-3)12-9(15)5-4-6-10(12)16/h4-7,14H,1-3H3.
What are the key properties of methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate?
methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate has a molecular weight of 345.18 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 2745752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).