7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H22N6O — CID 19398584

About 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19398584) has the molecular formula C28H22N6O and a molecular weight of 458.53 g/mol. Its IUPAC name is 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19398584
• Molecular Formula: C28H22N6O
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.19
• IUPAC Name: 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-c2ccnc3c(C(=O)Nc4ccn(Cc5cccc6ccccc56)n4)cnn23)cc1
• InChI: InChI=1S/C28H22N6O/c1-19-9-11-21(12-10-19)25-13-15-29-27-24(17-30-34(25)27)28(35)31-26-14-16-33(32-26)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-17H,18H2,1H3,(H,31,32,35)
• InChIKey: DVFDDRDGYTVAPD-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19398584) is 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4ccn(Cc5cccc6ccccc56)n4)cnn23)cc1.

What is the InChIKey of 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DVFDDRDGYTVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O/c1-19-9-11-21(12-10-19)25-13-15-29-27-24(17-30-34(25)27)28(35)31-26-14-16-33(32-26)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-17H,18H2,1H3,(H,31,32,35).

What are the key properties of 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19398584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).