5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C24H29N5O3 — CID 165037193

About 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 165037193) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 165037193
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C4CC4(C)C)no3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C24H29N5O3/c1-13(2)29-22(25)20(23(26)31)21(27-29)15-7-5-14(6-8-15)9-16(30)10-17-11-19(28-32-17)18-12-24(18,3)4/h5-8,11,13,18H,9-10,12,25H2,1-4H3,(H2,26,31)
• InChIKey: NOIYICZAEWPLBM-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 130.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 165037193) is 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C4CC4(C)C)no3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is NOIYICZAEWPLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-13(2)29-22(25)20(23(26)31)21(27-29)15-7-5-14(6-8-15)9-16(30)10-17-11-19(28-32-17)18-12-24(18,3)4/h5-8,11,13,18H,9-10,12,25H2,1-4H3,(H2,26,31).

What are the key properties of 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 165037193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).