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

C27H24N8O — CID 19416479

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

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416479) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19416479
• Molecular Formula: C27H24N8O
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.21
• IUPAC Name: 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCn1cc(-c2ccnc3c(C(=O)Nc4ccn(Cc5cccc6ccccc56)n4)cnn23)c(C)n1
• InChI: InChI=1S/C27H24N8O/c1-3-33-17-23(18(2)31-33)24-11-13-28-26-22(15-29-35(24)26)27(36)30-25-12-14-34(32-25)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-15,17H,3,16H2,1-2H3,(H,30,32,36)
• InChIKey: PCUIANLIPKRPDU-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 94.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416479) is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4ccn(Cc5cccc6ccccc56)n4)cnn23)c(C)n1.

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

The InChIKey is PCUIANLIPKRPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-3-33-17-23(18(2)31-33)24-11-13-28-26-22(15-29-35(24)26)27(36)30-25-12-14-34(32-25)16-20-9-6-8-19-7-4-5-10-21(19)20/h4-15,17H,3,16H2,1-2H3,(H,30,32,36).

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

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).