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

C20H16Cl2N2O3 — CID 154024643

IUPACmethyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC3CC3)c2)n(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H16Cl2N2O3/c1-26-20(25)17-11-18(12-3-2-4-15(9-12)27-14-6-7-14)24(23-17)19-10-13(21)5-8-16(19)22/h2-5,8-11,14H,6-7H2,1H3
InChIKeyKKDAFYCKBHEHFL-UHFFFAOYSA-N
MW403.27 g/mol
LogP5.17
Rot. Bonds5

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

methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate (PubChem CID 154024643) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate
PubChem CID154024643
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC Namemethyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC3CC3)c2)n(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H16Cl2N2O3/c1-26-20(25)17-11-18(12-3-2-4-15(9-12)27-14-6-7-14)24(23-17)19-10-13(21)5-8-16(19)22/h2-5,8-11,14H,6-7H2,1H3
InChIKeyKKDAFYCKBHEHFL-UHFFFAOYSA-N
XLogP5.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.27
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-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-(3-cyclopropyloxyphenyl)-1-(2-nitrophenyl)pyrazole-3-carboxylate
CID 154024646
methyl 1-(3-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazole-3-carboxylate
CID 1477228
methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate
CID 134587090
5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide
CID 1477268
methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate
CID 140877303
2-[[5-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587177
methyl 3-(3-cyclopropyloxyphenyl)-4-methylthiophene-2-carboxylate
CID 103173087
3-[[1-[2-(azetidin-1-yl)-4-fluorophenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-(2-chlorophenyl)-5-(3,5-diethoxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one
CID 159796819
methyl (2R)-2-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoate
CID 171771700
methyl 1-(2,5-dichlorophenyl)triazole-4-carboxylate
CID 122241295
methyl 1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
CID 66781547
3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole
CID 150953075

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate (CID 154024643) is methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate is COC(=O)c1cc(-c2cccc(OC3CC3)c2)n(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate?
The InChIKey is KKDAFYCKBHEHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-26-20(25)17-11-18(12-3-2-4-15(9-12)27-14-6-7-14)24(23-17)19-10-13(21)5-8-16(19)22/h2-5,8-11,14H,6-7H2,1H3.
What are the key properties of methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate?
methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate has a molecular weight of 403.27 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 154024643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).