7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine

C10H12ClN3 — CID 83702760

IUPAC7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C10H12ClN3/c1-3-4-8-6-10-12-7(2)5-9(11)14(10)13-8/h5-6H,3-4H2,1-2H3
InChIKeyLYAGKOQKNXCNEC-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.64
Rot. Bonds2

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

7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 83702760) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
PubChem CID83702760
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C10H12ClN3/c1-3-4-8-6-10-12-7(2)5-9(11)14(10)13-8/h5-6H,3-4H2,1-2H3
InChIKeyLYAGKOQKNXCNEC-UHFFFAOYSA-N
XLogP2.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine (CID 83702760) is 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc2nc(C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LYAGKOQKNXCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-4-8-6-10-12-7(2)5-9(11)14(10)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 209.68 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 83702760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).