7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C13H8Cl3N3 — CID 140990710

IUPAC7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccc(Cl)cc3Cl)cc2n1
InChIInChI=1S/C13H8Cl3N3/c1-7-4-12(16)19-13(17-7)6-11(18-19)9-3-2-8(14)5-10(9)15/h2-6H,1H3
InChIKeyRSLVVJLKBHQZQK-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.66
Rot. Bonds1

About 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 140990710) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID140990710
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccc(Cl)cc3Cl)cc2n1
InChIInChI=1S/C13H8Cl3N3/c1-7-4-12(16)19-13(17-7)6-11(18-19)9-3-2-8(14)5-10(9)15/h2-6H,1H3
InChIKeyRSLVVJLKBHQZQK-UHFFFAOYSA-N
XLogP4.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
CID 83702760
7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269835
7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
1-[2-(2,4-dichlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-propan-2-ylpiperidine-3-carboxylic acid
CID 146424127
8-(2,4-dichlorophenyl)-7-methyl-2-phenylpyrimido[1,2-b]pyridazin-4-one
CID 141219323
(1S)-1-[6-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 99982075
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
6-chloro-2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 784545
2-N-[2-[[7-(2,4-dichlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethyl]pyridine-2,5-diamine
CID 71065495
4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrrolo[1,2-a]pyrimidine-6-carbonitrile
CID 12018445
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 140990710) is 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(-c3ccc(Cl)cc3Cl)cc2n1.
What is the InChIKey of 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RSLVVJLKBHQZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c1-7-4-12(16)19-13(17-7)6-11(18-19)9-3-2-8(14)5-10(9)15/h2-6H,1H3.
What are the key properties of 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 312.59 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 140990710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).