3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C13H9Cl2N3 — CID 1474425

IUPAC3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2cc(-c3ccc(Cl)cc3)cnc2c1Cl
InChIInChI=1S/C13H9Cl2N3/c1-8-12(15)13-16-6-10(7-18(13)17-8)9-2-4-11(14)5-3-9/h2-7H,1H3
InChIKeyXBMJOFSVUYIOTO-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.01
Rot. Bonds1

About 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 1474425) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID1474425
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2cc(-c3ccc(Cl)cc3)cnc2c1Cl
InChIInChI=1S/C13H9Cl2N3/c1-8-12(15)13-16-6-10(7-18(13)17-8)9-2-4-11(14)5-3-9/h2-7H,1H3
InChIKeyXBMJOFSVUYIOTO-UHFFFAOYSA-N
XLogP4.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
PD-171729
CID 9800614
3-Chloro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 90646678
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 1474425) is 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2cc(-c3ccc(Cl)cc3)cnc2c1Cl.
What is the InChIKey of 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XBMJOFSVUYIOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-8-12(15)13-16-6-10(7-18(13)17-8)9-2-4-11(14)5-3-9/h2-7H,1H3.
What are the key properties of 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 278.14 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1474425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).