7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C14H11Cl2N3 — CID 5210284

IUPAC7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H11Cl2N3/c1-8-7-12(16)19-14(17-8)13(9(2)18-19)10-3-5-11(15)6-4-10/h3-7H,1-2H3
InChIKeyAWBIGBCHZDKWET-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.32
Rot. Bonds1

About 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 5210284) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID5210284
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H11Cl2N3/c1-8-7-12(16)19-14(17-8)13(9(2)18-19)10-3-5-11(15)6-4-10/h3-7H,1-2H3
InChIKeyAWBIGBCHZDKWET-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 5210284) is 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AWBIGBCHZDKWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-8-7-12(16)19-14(17-8)13(9(2)18-19)10-3-5-11(15)6-4-10/h3-7H,1-2H3.
What are the key properties of 7-chloro-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-(4-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-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5210284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).