2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide

C24H24N6O — CID 58397264

About 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 58397264) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 58397264
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide
• SMILES: CCn1nc(C)cc1C(=O)Nc1ccc(C)c(Cc2ncccc2-c2ccncn2)c1
• InChI: InChI=1S/C24H24N6O/c1-4-30-23(12-17(3)29-30)24(31)28-19-8-7-16(2)18(13-19)14-22-20(6-5-10-26-22)21-9-11-25-15-27-21/h5-13,15H,4,14H2,1-3H3,(H,28,31)
• InChIKey: IXMKOCBMHOVLCL-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide (CID 58397264) is 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccc(C)c(Cc2ncccc2-c2ccncn2)c1.

What is the InChIKey of 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide?

The InChIKey is IXMKOCBMHOVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-4-30-23(12-17(3)29-30)24(31)28-19-8-7-16(2)18(13-19)14-22-20(6-5-10-26-22)21-9-11-25-15-27-21/h5-13,15H,4,14H2,1-3H3,(H,28,31).

What are the key properties of 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide?

2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 58397264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).