[5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

C25H31F3N4O2 — CID 67314701

About [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

[5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone (PubChem CID 67314701) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 67314701
• Molecular Formula: C25H31F3N4O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.24
• IUPAC Name: [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
• SMILES: Cc1nn(-c2cccc(C(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2CO)CC1
• InChI: InChI=1S/C25H31F3N4O2/c1-16-22(24(34)30-12-9-19(10-13-30)31-11-3-6-21(31)15-33)23(17-7-8-17)32(29-16)20-5-2-4-18(14-20)25(26,27)28/h2,4-5,14,17,19,21,33H,3,6-13,15H2,1H3
• InChIKey: NTEDSJMQZLTKBG-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone (CID 67314701) is [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone is Cc1nn(-c2cccc(C(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2CO)CC1.

What is the InChIKey of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?

The InChIKey is NTEDSJMQZLTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O2/c1-16-22(24(34)30-12-9-19(10-13-30)31-11-3-6-21(31)15-33)23(17-7-8-17)32(29-16)20-5-2-4-18(14-20)25(26,27)28/h2,4-5,14,17,19,21,33H,3,6-13,15H2,1H3.

What are the key properties of [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?

[5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 476.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 67314701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).