2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

C7H3Cl2N3O — CID 122516643

IUPAC2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)nn2cccnc12
InChIInChI=1S/C7H3Cl2N3O/c8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1-3H
InChIKeyPSKZWFYHDUTNER-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.76
Rot. Bonds1

About 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (PubChem CID 122516643) has the molecular formula C7H3Cl2N3O and a molecular weight of 216.03 g/mol. Its IUPAC name is 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.

Molecular Properties

Compound Name2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
PubChem CID122516643
Molecular FormulaC7H3Cl2N3O
Molecular Weight216.03 g/mol
Exact Mass214.97
IUPAC Name2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)nn2cccnc12
InChIInChI=1S/C7H3Cl2N3O/c8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1-3H
InChIKeyPSKZWFYHDUTNER-UHFFFAOYSA-N
XLogP1.76
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The IUPAC name of 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (CID 122516643) is 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.
What is the SMILES notation for 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The canonical SMILES for 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is O=C(Cl)c1c(Cl)nn2cccnc12.
What is the InChIKey of 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The InChIKey is PSKZWFYHDUTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O/c8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1-3H.
What are the key properties of 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride has a molecular weight of 216.03 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is sourced from PubChem (CID 122516643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).