7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine

C8H8ClN3 — CID 10487659

IUPAC7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2ncc(C)c2n1
InChIInChI=1S/C8H8ClN3/c1-5-4-10-12-7(9)3-6(2)11-8(5)12/h3-4H,1-2H3
InChIKeyCZEKNLREIQNGCT-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.00
Rot. Bonds

About 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine

7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 10487659) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID10487659
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2ncc(C)c2n1
InChIInChI=1S/C8H8ClN3/c1-5-4-10-12-7(9)3-6(2)11-8(5)12/h3-4H,1-2H3
InChIKeyCZEKNLREIQNGCT-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 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 10487659) is 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2ncc(C)c2n1.
What is the InChIKey of 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CZEKNLREIQNGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-5-4-10-12-7(9)3-6(2)11-8(5)12/h3-4H,1-2H3.
What are the key properties of 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-chloro-3,5-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 7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 10487659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).