5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C25H23N5 — CID 53327753

IUPAC5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C)nn2-c2cc3nc(C)cc(-c4ccc(C)cc4)n3n2)cc1
InChIInChI=1S/C25H23N5/c1-16-5-9-20(10-6-16)22-13-18(3)26-24-15-25(28-29(22)24)30-23(14-19(4)27-30)21-11-7-17(2)8-12-21/h5-15H,1-4H3
InChIKeyIABIWNGVSCWPQN-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.48
Rot. Bonds3

About 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 53327753) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID53327753
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc(C)nn2-c2cc3nc(C)cc(-c4ccc(C)cc4)n3n2)cc1
InChIInChI=1S/C25H23N5/c1-16-5-9-20(10-6-16)22-13-18(3)26-24-15-25(28-29(22)24)30-23(14-19(4)27-30)21-11-7-17(2)8-12-21/h5-15H,1-4H3
InChIKeyIABIWNGVSCWPQN-UHFFFAOYSA-N
XLogP5.48
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 53327753) is 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc(C)nn2-c2cc3nc(C)cc(-c4ccc(C)cc4)n3n2)cc1.
What is the InChIKey of 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IABIWNGVSCWPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-16-5-9-20(10-6-16)22-13-18(3)26-24-15-25(28-29(22)24)30-23(14-19(4)27-30)21-11-7-17(2)8-12-21/h5-15H,1-4H3.
What are the key properties of 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 393.49 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53327753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).