N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C23H26F3N5O — CID 55721330

About N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 55721330) has the molecular formula C23H26F3N5O and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 55721330
• Molecular Formula: C23H26F3N5O
• Molecular Weight: 445.49 g/mol
• Exact Mass: 445.21
• IUPAC Name: N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)NCC(C)N(C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C23H26F3N5O/c1-15(2)21-19(14-29-31(21)20-11-10-17(13-27-20)23(24,25)26)22(32)28-12-16(3)30(4)18-8-6-5-7-9-18/h5-11,13-16H,12H2,1-4H3,(H,28,32)
• InChIKey: VPIGECLGQAUTLF-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 55721330) is N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC(C)N(C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is VPIGECLGQAUTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O/c1-15(2)21-19(14-29-31(21)20-11-10-17(13-27-20)23(24,25)26)22(32)28-12-16(3)30(4)18-8-6-5-7-9-18/h5-11,13-16H,12H2,1-4H3,(H,28,32).

What are the key properties of N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-methylanilino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55721330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).