5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C14H11Cl2N3 — CID 104616021

IUPAC5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2c(Cl)nc3cc(C)nn3c2Cl)cc1
InChIInChI=1S/C14H11Cl2N3/c1-8-3-5-10(6-4-8)12-13(15)17-11-7-9(2)18-19(11)14(12)16/h3-7H,1-2H3
InChIKeyILCZFAHXGUUUTR-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.32
Rot. Bonds1

About 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 104616021) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID104616021
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2c(Cl)nc3cc(C)nn3c2Cl)cc1
InChIInChI=1S/C14H11Cl2N3/c1-8-3-5-10(6-4-8)12-13(15)17-11-7-9(2)18-19(11)14(12)16/h3-7H,1-2H3
InChIKeyILCZFAHXGUUUTR-UHFFFAOYSA-N
XLogP4.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
CID 82274571
5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616048
5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621648
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 88968275
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 779831
5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 122364244
5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514531
5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274694
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine
CID 114514733
5,7-dichloro-6-phenylpyrazolo[1,5-a]pyrimidine
CID 59427807

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 104616021) is 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2c(Cl)nc3cc(C)nn3c2Cl)cc1.
What is the InChIKey of 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ILCZFAHXGUUUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-8-3-5-10(6-4-8)12-13(15)17-11-7-9(2)18-19(11)14(12)16/h3-7H,1-2H3.
What are the key properties of 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 292.17 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104616021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).