2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C8H8ClN3 — CID 19380134

IUPAC2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Cl)cc2n1
InChIInChI=1S/C8H8ClN3/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3
InChIKeyHSWXPFRLSVHBMG-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.00
Rot. Bonds

About 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine

2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 19380134) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID19380134
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Cl)cc2n1
InChIInChI=1S/C8H8ClN3/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3
InChIKeyHSWXPFRLSVHBMG-UHFFFAOYSA-N
XLogP2.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 19380134) is 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(Cl)cc2n1.
What is the InChIKey of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HSWXPFRLSVHBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-5-3-6(2)12-8(10-5)4-7(9)11-12/h3-4H,1-2H3.
What are the key properties of 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 181.63 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 19380134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).