methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C15H11Cl2N3O2 — CID 44822298

IUPACmethyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)c(C)nn12
InChIInChI=1S/C15H11Cl2N3O2/c1-8-13(17)14-18-11(9-3-5-10(16)6-4-9)7-12(15(21)22-2)20(14)19-8/h3-7H,1-2H3
InChIKeyIXGQROHEKTUXPA-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.80
Rot. Bonds2

About methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 44822298) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID44822298
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Namemethyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)c(C)nn12
InChIInChI=1S/C15H11Cl2N3O2/c1-8-13(17)14-18-11(9-3-5-10(16)6-4-9)7-12(15(21)22-2)20(14)19-8/h3-7H,1-2H3
InChIKeyIXGQROHEKTUXPA-UHFFFAOYSA-N
XLogP3.80
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(2,4-dichlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916128
4-(4-chlorophenyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-6-carboxylic acid
CID 19916181
methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916106
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 4900052
methyl 6-(4-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9120689
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822346
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
methyl 3-(4-chlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 175820685
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916264
3-chloro-7-[chloro(difluoro)methyl]-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774269

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 44822298) is methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)c(C)nn12.
What is the InChIKey of methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is IXGQROHEKTUXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-8-13(17)14-18-11(9-3-5-10(16)6-4-9)7-12(15(21)22-2)20(14)19-8/h3-7H,1-2H3.
What are the key properties of methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 336.18 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 44822298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).