2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide

C26H30N6O2 — CID 162485729

About 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide

2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide (PubChem CID 162485729) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide
• PubChem CID: 162485729
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide
• SMILES: CC(C(=O)Nc1cc(C2CC(C)(C)C2)no1)c1ccc(-c2nn(C3(C)CC3)c(N)c2C#N)cc1
• InChI: InChI=1S/C26H30N6O2/c1-15(24(33)29-21-11-20(31-34-21)18-12-25(2,3)13-18)16-5-7-17(8-6-16)22-19(14-27)23(28)32(30-22)26(4)9-10-26/h5-8,11,15,18H,9-10,12-13,28H2,1-4H3,(H,29,33)
• InChIKey: MLBQJYAHLZGWFU-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 122.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide?

The IUPAC name of 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide (CID 162485729) is 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide.

What is the SMILES notation for 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide?

The canonical SMILES for 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide is CC(C(=O)Nc1cc(C2CC(C)(C)C2)no1)c1ccc(-c2nn(C3(C)CC3)c(N)c2C#N)cc1.

What is the InChIKey of 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide?

The InChIKey is MLBQJYAHLZGWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-15(24(33)29-21-11-20(31-34-21)18-12-25(2,3)13-18)16-5-7-17(8-6-16)22-19(14-27)23(28)32(30-22)26(4)9-10-26/h5-8,11,15,18H,9-10,12-13,28H2,1-4H3,(H,29,33).

What are the key properties of 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide?

2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 458.57 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 162485729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).