(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate

C20H19ClN2O4 — CID 8879677

IUPAC(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-13-18(19(21)23(22-13)15-7-5-4-6-8-15)20(24)27-12-14-11-16(25-2)9-10-17(14)26-3/h4-11H,12H2,1-3H3
InChIKeyGIPSZRNHIMEJPX-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.21
Rot. Bonds6

About (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate

(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 8879677) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
PubChem CID8879677
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-13-18(19(21)23(22-13)15-7-5-4-6-8-15)20(24)27-12-14-11-16(25-2)9-10-17(14)26-3/h4-11H,12H2,1-3H3
InChIKeyGIPSZRNHIMEJPX-UHFFFAOYSA-N
XLogP4.21
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-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

(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576204
(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074
(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 4783540
(3-methoxycarbonylphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576440
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22830645
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913575
[2-(4-chlorophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576220
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
[2-(ethylcarbamoylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 7557526

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate (CID 8879677) is (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate is COc1ccc(OC)c(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is GIPSZRNHIMEJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13-18(19(21)23(22-13)15-7-5-4-6-8-15)20(24)27-12-14-11-16(25-2)9-10-17(14)26-3/h4-11H,12H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 8879677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).