5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine

C10H11Cl2N3 — CID 178129789

IUPAC5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(CCCCl)c(Cl)nc2ccnn12
InChIInChI=1S/C10H11Cl2N3/c1-7-8(3-2-5-11)10(12)14-9-4-6-13-15(7)9/h4,6H,2-3,5H2,1H3
InChIKeySTFIYFNHGCQLRZ-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.86
Rot. Bonds3

About 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine

5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 178129789) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.12 g/mol. Its IUPAC name is 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine
PubChem CID178129789
Molecular FormulaC10H11Cl2N3
Molecular Weight244.12 g/mol
Exact Mass243.03
IUPAC Name5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1c(CCCCl)c(Cl)nc2ccnn12
InChIInChI=1S/C10H11Cl2N3/c1-7-8(3-2-5-11)10(12)14-9-4-6-13-15(7)9/h4,6H,2-3,5H2,1H3
InChIKeySTFIYFNHGCQLRZ-UHFFFAOYSA-N
XLogP2.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine (CID 178129789) is 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine is Cc1c(CCCCl)c(Cl)nc2ccnn12.
What is the InChIKey of 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is STFIYFNHGCQLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3/c1-7-8(3-2-5-11)10(12)14-9-4-6-13-15(7)9/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 244.12 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178129789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).