3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine

C20H23BrClN3 — CID 143090148

IUPAC3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCC(CCC)Cc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
InChIInChI=1S/C20H23BrClN3/c1-3-7-14(8-4-2)11-15-12-19(16-9-5-6-10-18(16)22)24-20-17(21)13-23-25(15)20/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3
InChIKeyTZVVSLHZXFEIQP-UHFFFAOYSA-N
MW420.78 g/mol
LogP6.57
Rot. Bonds7

About 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine

3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 143090148) has the molecular formula C20H23BrClN3 and a molecular weight of 420.78 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine
PubChem CID143090148
Molecular FormulaC20H23BrClN3
Molecular Weight420.78 g/mol
Exact Mass419.08
IUPAC Name3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCC(CCC)Cc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
InChIInChI=1S/C20H23BrClN3/c1-3-7-14(8-4-2)11-15-12-19(16-9-5-6-10-18(16)22)24-20-17(21)13-23-25(15)20/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3
InChIKeyTZVVSLHZXFEIQP-UHFFFAOYSA-N
XLogP6.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.78
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine (CID 143090148) is 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine is CCCC(CCC)Cc1cc(-c2ccccc2Cl)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is TZVVSLHZXFEIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClN3/c1-3-7-14(8-4-2)11-15-12-19(16-9-5-6-10-18(16)22)24-20-17(21)13-23-25(15)20/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 420.78 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-7-(2-propylpentyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 143090148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).