3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

C15H14ClN3 — CID 753149

IUPAC3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H14ClN3/c1-9-8-10(2)19-15(17-9)14(11(3)18-19)12-4-6-13(16)7-5-12/h4-8H,1-3H3
InChIKeyKRPSGHAFMVWEKG-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.97
Rot. Bonds1

About 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 753149) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID753149
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H14ClN3/c1-9-8-10(2)19-15(17-9)14(11(3)18-19)12-4-6-13(16)7-5-12/h4-8H,1-3H3
InChIKeyKRPSGHAFMVWEKG-UHFFFAOYSA-N
XLogP3.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 753149) is 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KRPSGHAFMVWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-8-10(2)19-15(17-9)14(11(3)18-19)12-4-6-13(16)7-5-12/h4-8H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 271.75 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 753149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).