N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C20H19ClF3N5O — CID 19535034

About N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19535034) has the molecular formula C20H19ClF3N5O and a molecular weight of 437.85 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• PubChem CID: 19535034
• Molecular Formula: C20H19ClF3N5O
• Molecular Weight: 437.85 g/mol
• Exact Mass: 437.12
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• SMILES: CC(C(=O)Nc1cnn(Cc2ccccc2Cl)c1)n1nc(C(F)(F)F)cc1C1CC1
• InChI: InChI=1S/C20H19ClF3N5O/c1-12(29-17(13-6-7-13)8-18(27-29)20(22,23)24)19(30)26-15-9-25-28(11-15)10-14-4-2-3-5-16(14)21/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,26,30)
• InChIKey: UGWHTLTWMHJFDQ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.85
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19535034) is N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1cnn(Cc2ccccc2Cl)c1)n1nc(C(F)(F)F)cc1C1CC1.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The InChIKey is UGWHTLTWMHJFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O/c1-12(29-17(13-6-7-13)8-18(27-29)20(22,23)24)19(30)26-15-9-25-28(11-15)10-14-4-2-3-5-16(14)21/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,26,30).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 437.85 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19535034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).