5,7-Dichloropyrazolo[1,5-a]pyrimidine

C6H3Cl2N3 — CID 11074154

IUPAC5,7-dichloropyrazolo[1,5-a]pyrimidine
SMILESC1=C2N=C(C=C(N2N=C1)Cl)Cl
InChIInChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H
InChIKeyJMTFWCYVZOFHLR-UHFFFAOYSA-N
MW188.01 g/mol
LogP2.20
Rot. Bonds

About 5,7-Dichloropyrazolo[1,5-a]pyrimidine

5,7-Dichloropyrazolo[1,5-a]pyrimidine (PubChem CID 11074154) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.01 g/mol. Its IUPAC name is 5,7-dichloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-Dichloropyrazolo[1,5-a]pyrimidine
PubChem CID11074154
Molecular FormulaC6H3Cl2N3
Molecular Weight188.01 g/mol
Exact Mass186.97
IUPAC Name5,7-dichloropyrazolo[1,5-a]pyrimidine
SMILESC1=C2N=C(C=C(N2N=C1)Cl)Cl
InChIInChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H
InChIKeyJMTFWCYVZOFHLR-UHFFFAOYSA-N
XLogP2.20
TPSA30.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity155

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.01
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-Dichloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-Dichloropyrazolo[1,5-a]pyrimidine (CID 11074154) is 5,7-dichloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-Dichloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-Dichloropyrazolo[1,5-a]pyrimidine is C1=C2N=C(C=C(N2N=C1)Cl)Cl.
What is the InChIKey of 5,7-Dichloropyrazolo[1,5-a]pyrimidine?
The InChIKey is JMTFWCYVZOFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-6(10-4)1-2-9-11/h1-3H.
What are the key properties of 5,7-Dichloropyrazolo[1,5-a]pyrimidine?
5,7-Dichloropyrazolo[1,5-a]pyrimidine has a molecular weight of 188.01 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-Dichloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11074154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).