7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine

C15H13Cl2N3 — CID 82274522

IUPAC7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3cccc(Cl)c3)c(C)nn2c(Cl)c1C
InChIInChI=1S/C15H13Cl2N3/c1-8-9(2)18-15-13(10(3)19-20(15)14(8)17)11-5-4-6-12(16)7-11/h4-7H,1-3H3
InChIKeyYAOZGIZNCTXLJR-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.63
Rot. Bonds1

About 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine

7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274522) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID82274522
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3cccc(Cl)c3)c(C)nn2c(Cl)c1C
InChIInChI=1S/C15H13Cl2N3/c1-8-9(2)18-15-13(10(3)19-20(15)14(8)17)11-5-4-6-12(16)7-11/h4-7H,1-3H3
InChIKeyYAOZGIZNCTXLJR-UHFFFAOYSA-N
XLogP4.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
CID 141325533
3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16653171
3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274775
3-(3-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274166
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603853
7-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56920453
8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine
CID 134717316
5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 135904438
2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
CID 123522555

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine (CID 82274522) is 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(-c3cccc(Cl)c3)c(C)nn2c(Cl)c1C.
What is the InChIKey of 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YAOZGIZNCTXLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-8-9(2)18-15-13(10(3)19-20(15)14(8)17)11-5-4-6-12(16)7-11/h4-7H,1-3H3.
What are the key properties of 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.20 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).