5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine

C13H8Cl3N3 — CID 82274624

IUPAC5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2c(-c3ccc(Cl)cc3)cnn2c1Cl
InChIInChI=1S/C13H8Cl3N3/c1-7-11(15)18-13-10(6-17-19(13)12(7)16)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyLTDJVMMKCREUNT-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.66
Rot. Bonds1

About 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274624) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
PubChem CID82274624
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2c(-c3ccc(Cl)cc3)cnn2c1Cl
InChIInChI=1S/C13H8Cl3N3/c1-7-11(15)18-13-10(6-17-19(13)12(7)16)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyLTDJVMMKCREUNT-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

Analyze 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dichloro-6-methyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274615
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82274347
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519
3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1477911
7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 154540820
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
7,8-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716854
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274439
3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822341
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471525

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine (CID 82274624) is 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2c(-c3ccc(Cl)cc3)cnn2c1Cl.
What is the InChIKey of 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LTDJVMMKCREUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c1-7-11(15)18-13-10(6-17-19(13)12(7)16)8-2-4-9(14)5-3-8/h2-6H,1H3.
What are the key properties of 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-(4-chlorophenyl)-6-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 5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).