5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine

C10H11Cl2N3 — CID 164889382

IUPAC5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1c(Cl)nc2ccnn2c1Cl
InChIInChI=1S/C10H11Cl2N3/c1-6(2)5-7-9(11)14-8-3-4-13-15(8)10(7)12/h3-4,6H,5H2,1-2H3
InChIKeyPBFVEUOJEVMNKW-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.23
Rot. Bonds2

About 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 164889382) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.12 g/mol. Its IUPAC name is 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine
PubChem CID164889382
Molecular FormulaC10H11Cl2N3
Molecular Weight244.12 g/mol
Exact Mass243.03
IUPAC Name5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1c(Cl)nc2ccnn2c1Cl
InChIInChI=1S/C10H11Cl2N3/c1-6(2)5-7-9(11)14-8-3-4-13-15(8)10(7)12/h3-4,6H,5H2,1-2H3
InChIKeyPBFVEUOJEVMNKW-UHFFFAOYSA-N
XLogP3.23
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine (CID 164889382) is 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine is CC(C)Cc1c(Cl)nc2ccnn2c1Cl.
What is the InChIKey of 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PBFVEUOJEVMNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3/c1-6(2)5-7-9(11)14-8-3-4-13-15(8)10(7)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 244.12 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 164889382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).