7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C14H11Cl2N3 — CID 4908382

IUPAC7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(-c3ccccc3Cl)c2n1
InChIInChI=1S/C14H11Cl2N3/c1-8-7-12(16)19-14(17-8)13(9(2)18-19)10-5-3-4-6-11(10)15/h3-7H,1-2H3
InChIKeyVWRBNIHABKVLFW-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.32
Rot. Bonds1

About 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 4908382) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID4908382
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(-c3ccccc3Cl)c2n1
InChIInChI=1S/C14H11Cl2N3/c1-8-7-12(16)19-14(17-8)13(9(2)18-19)10-5-3-4-6-11(10)15/h3-7H,1-2H3
InChIKeyVWRBNIHABKVLFW-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

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
PD-171729
CID 9800614
7-(4-Chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 824033
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
7-(4-Chlorophenyl)-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819376
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
N-(3-chloro-4-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741602

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 4908382) is 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C)c(-c3ccccc3Cl)c2n1.
What is the InChIKey of 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VWRBNIHABKVLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-8-7-12(16)19-14(17-8)13(9(2)18-19)10-5-3-4-6-11(10)15/h3-7H,1-2H3.
What are the key properties of 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[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 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4908382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).