5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine

C9H10ClN3 — CID 88968275

IUPAC5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(Cl)c(C)c(C)n2n1
InChIInChI=1S/C9H10ClN3/c1-5-4-8-11-9(10)6(2)7(3)13(8)12-5/h4H,1-3H3
InChIKeyKTCCNVGTTXWIDL-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.31
Rot. Bonds

About 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine

5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 88968275) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID88968275
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(Cl)c(C)c(C)n2n1
InChIInChI=1S/C9H10ClN3/c1-5-4-8-11-9(10)6(2)7(3)13(8)12-5/h4H,1-3H3
InChIKeyKTCCNVGTTXWIDL-UHFFFAOYSA-N
XLogP2.31
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 88968275) is 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(Cl)c(C)c(C)n2n1.
What is the InChIKey of 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KTCCNVGTTXWIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-5-4-8-11-9(10)6(2)7(3)13(8)12-5/h4H,1-3H3.
What are the key properties of 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 195.65 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 88968275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).