tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate

C19H31F3N4O2 — CID 178139852

About tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate (PubChem CID 178139852) has the molecular formula C19H31F3N4O2 and a molecular weight of 404.48 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate
• PubChem CID: 178139852
• Molecular Formula: C19H31F3N4O2
• Molecular Weight: 404.48 g/mol
• Exact Mass: 404.24
• IUPAC Name: tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate
• SMILES: CN1CCC(c2cc(C(F)(F)F)nn2CC(C)(C)NC(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C19H31F3N4O2/c1-17(2,3)28-16(27)23-18(4,5)12-26-14(11-15(24-26)19(20,21)22)13-7-9-25(6)10-8-13/h11,13H,7-10,12H2,1-6H3,(H,23,27)
• InChIKey: ZBPXTESQLSVOQM-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.48
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate (CID 178139852) is tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate is CN1CCC(c2cc(C(F)(F)F)nn2CC(C)(C)NC(=O)OC(C)(C)C)CC1.

What is the InChIKey of tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate?

The InChIKey is ZBPXTESQLSVOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3N4O2/c1-17(2,3)28-16(27)23-18(4,5)12-26-14(11-15(24-26)19(20,21)22)13-7-9-25(6)10-8-13/h11,13H,7-10,12H2,1-6H3,(H,23,27).

What are the key properties of tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate?

tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate has a molecular weight of 404.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-methyl-1-[5-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 178139852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).