5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H31N7O2 — CID 165076569

About 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 165076569) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 165076569
• Molecular Formula: C23H31N7O2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.25
• IUPAC Name: 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)n(C)n3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C23H31N7O2/c1-13(2)30-21(24)19(22(25)32)20(28-30)15-9-7-14(8-10-15)11-18(31)26-17-12-16(23(3,4)5)29(6)27-17/h7-10,12-13H,11,24H2,1-6H3,(H2,25,32)(H,26,27,31)
• InChIKey: UZBFIYIEQOJMIV-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 133.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 165076569) is 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)n(C)n3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is UZBFIYIEQOJMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-13(2)30-21(24)19(22(25)32)20(28-30)15-9-7-14(8-10-15)11-18(31)26-17-12-16(23(3,4)5)29(6)27-17/h7-10,12-13H,11,24H2,1-6H3,(H2,25,32)(H,26,27,31).

What are the key properties of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 165076569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).