3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide

C22H24F3N5O2 — CID 19564031

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide (PubChem CID 19564031) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
• PubChem CID: 19564031
• Molecular Formula: C22H24F3N5O2
• Molecular Weight: 447.46 g/mol
• Exact Mass: 447.19
• IUPAC Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
• SMILES: CCc1ccc(OCn2cc(NC(=O)CCn3nc(C(F)(F)F)cc3C3CC3)cn2)cc1
• InChI: InChI=1S/C22H24F3N5O2/c1-2-15-3-7-18(8-4-15)32-14-29-13-17(12-26-29)27-21(31)9-10-30-19(16-5-6-16)11-20(28-30)22(23,24)25/h3-4,7-8,11-13,16H,2,5-6,9-10,14H2,1H3,(H,27,31)
• InChIKey: VWPKNVYCGKTGJY-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.46
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide?

The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide (CID 19564031) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide?

The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide is CCc1ccc(OCn2cc(NC(=O)CCn3nc(C(F)(F)F)cc3C3CC3)cn2)cc1.

What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide?

The InChIKey is VWPKNVYCGKTGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-2-15-3-7-18(8-4-15)32-14-29-13-17(12-26-29)27-21(31)9-10-30-19(16-5-6-16)11-20(28-30)22(23,24)25/h3-4,7-8,11-13,16H,2,5-6,9-10,14H2,1H3,(H,27,31).

What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide?

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide has a molecular weight of 447.46 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19564031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).