N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide

C23H26Cl2N4O2 — CID 112827777

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide (PubChem CID 112827777) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
• PubChem CID: 112827777
• Molecular Formula: C23H26Cl2N4O2
• Molecular Weight: 461.39 g/mol
• Exact Mass: 460.14
• IUPAC Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
• SMILES: Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl
• InChI: InChI=1S/C23H26Cl2N4O2/c1-14(2)13-29-16(4)18(15(3)28-29)9-10-22(30)27-20-7-5-6-8-21(20)31-23-19(25)11-17(24)12-26-23/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,27,30)
• InChIKey: XFTDNDIKMZOTTR-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.39
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?

The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide (CID 112827777) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide.

What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?

The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl.

What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?

The InChIKey is XFTDNDIKMZOTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c1-14(2)13-29-16(4)18(15(3)28-29)9-10-22(30)27-20-7-5-6-8-21(20)31-23-19(25)11-17(24)12-26-23/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,27,30).

What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide has a molecular weight of 461.39 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 112827777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).