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

C26H30N8O — CID 166903401

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

3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 166903401) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide
• PubChem CID: 166903401
• Molecular Formula: C26H30N8O
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.25
• IUPAC Name: 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide
• SMILES: Cc1n[nH]c(C)c1-c1ccc(NC(=O)C(c2n[nH]c(Cc3ccn[nH]3)n2)C(C2CC2)C2CC2)cc1
• InChI: InChI=1S/C26H30N8O/c1-14-22(15(2)31-30-14)16-7-9-19(10-8-16)28-26(35)24(23(17-3-4-17)18-5-6-18)25-29-21(33-34-25)13-20-11-12-27-32-20/h7-12,17-18,23-24H,3-6,13H2,1-2H3,(H,27,32)(H,28,35)(H,30,31)(H,29,33,34)
• InChIKey: UCSNIWJAWKVTAS-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 128.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 166903401) is 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide.

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

The canonical SMILES for 3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)C(c2n[nH]c(Cc3ccn[nH]3)n2)C(C2CC2)C2CC2)cc1.

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

The InChIKey is UCSNIWJAWKVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-14-22(15(2)31-30-14)16-7-9-19(10-8-16)28-26(35)24(23(17-3-4-17)18-5-6-18)25-29-21(33-34-25)13-20-11-12-27-32-20/h7-12,17-18,23-24H,3-6,13H2,1-2H3,(H,27,32)(H,28,35)(H,30,31)(H,29,33,34).

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

3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 470.58 g/mol, XLogP of 4.28, 9 rotatable bonds, 4 hydrogen bond donors, and 5 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-[5-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 166903401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).