6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C13H10ClN3 — CID 1474423

IUPAC6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(-c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C13H10ClN3/c1-9-6-13-15-7-11(8-17(13)16-9)10-2-4-12(14)5-3-10/h2-8H,1H3
InChIKeyIDGXVJGBTGEQGI-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.36
Rot. Bonds1

About 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 1474423) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID1474423
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(-c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C13H10ClN3/c1-9-6-13-15-7-11(8-17(13)16-9)10-2-4-12(14)5-3-10/h2-8H,1H3
InChIKeyIDGXVJGBTGEQGI-UHFFFAOYSA-N
XLogP3.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 1474423) is 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2ncc(-c3ccc(Cl)cc3)cn2n1.
What is the InChIKey of 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IDGXVJGBTGEQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-9-6-13-15-7-11(8-17(13)16-9)10-2-4-12(14)5-3-10/h2-8H,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 243.70 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1474423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).