5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine

C14H10Cl3N3 — CID 82274694

IUPAC5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(Cl)c(Cc3ccccc3Cl)c(Cl)n2n1
InChIInChI=1S/C14H10Cl3N3/c1-8-6-12-18-13(16)10(14(17)20(12)19-8)7-9-4-2-3-5-11(9)15/h2-6H,7H2,1H3
InChIKeyQRMOKVJMWGYFHZ-UHFFFAOYSA-N
MW326.61 g/mol
LogP4.59
Rot. Bonds2

About 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274694) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID82274694
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(Cl)c(Cc3ccccc3Cl)c(Cl)n2n1
InChIInChI=1S/C14H10Cl3N3/c1-8-6-12-18-13(16)10(14(17)20(12)19-8)7-9-4-2-3-5-11(9)15/h2-6H,7H2,1H3
InChIKeyQRMOKVJMWGYFHZ-UHFFFAOYSA-N
XLogP4.59
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 54.59
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
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 88968275
5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 15285472
2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline
CID 123166256
2-[(2-chlorophenyl)methyl]-5-methylimidazo[1,2-a]pyridine
CID 117132716
5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132736
5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165476285
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
2-[(2-chlorophenyl)methyl]-6-methylpyrazine
CID 70937873
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine (CID 82274694) is 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(Cl)c(Cc3ccccc3Cl)c(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QRMOKVJMWGYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c1-8-6-12-18-13(16)10(14(17)20(12)19-8)7-9-4-2-3-5-11(9)15/h2-6H,7H2,1H3.
What are the key properties of 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 326.61 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).