3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide

C23H27N5O — CID 166903535

About 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide

3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide (PubChem CID 166903535) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide
• PubChem CID: 166903535
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide
• SMILES: Cc1n[nH]c(C)c1-c1ccc(NC(=O)C(c2ncc[nH]2)C(C2CC2)C2CC2)cc1
• InChI: InChI=1S/C23H27N5O/c1-13-19(14(2)28-27-13)15-7-9-18(10-8-15)26-23(29)21(22-24-11-12-25-22)20(16-3-4-16)17-5-6-17/h7-12,16-17,20-21H,3-6H2,1-2H3,(H,24,25)(H,26,29)(H,27,28)
• InChIKey: PTBPHSPRQQNRRM-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide?

The IUPAC name of 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide (CID 166903535) is 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide.

What is the SMILES notation for 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide?

The canonical SMILES for 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)C(c2ncc[nH]2)C(C2CC2)C2CC2)cc1.

What is the InChIKey of 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide?

The InChIKey is PTBPHSPRQQNRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-13-19(14(2)28-27-13)15-7-9-18(10-8-15)26-23(29)21(22-24-11-12-25-22)20(16-3-4-16)17-5-6-17/h7-12,16-17,20-21H,3-6H2,1-2H3,(H,24,25)(H,26,29)(H,27,28).

What are the key properties of 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide?

3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 166903535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).