3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine

C17H12ClN3O — CID 7711493

IUPAC3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccco3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O/c1-11-16(12-4-6-13(18)7-5-12)17-19-9-8-14(21(17)20-11)15-3-2-10-22-15/h2-10H,1H3
InChIKeyYVMZNXQAXNTIAA-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.62
Rot. Bonds2

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

3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 7711493) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID7711493
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccco3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O/c1-11-16(12-4-6-13(18)7-5-12)17-19-9-8-14(21(17)20-11)15-3-2-10-22-15/h2-10H,1H3
InChIKeyYVMZNXQAXNTIAA-UHFFFAOYSA-N
XLogP4.62
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 7711493) is 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccco3)ccnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YVMZNXQAXNTIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-11-16(12-4-6-13(18)7-5-12)17-19-9-8-14(21(17)20-11)15-3-2-10-22-15/h2-10H,1H3.
What are the key properties of 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 309.76 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7711493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).