N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

C15H24F3N5O — CID 71861959

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CCN(C(C)C(F)(F)F)CC1)Cn1cccn1
InChIInChI=1S/C15H24F3N5O/c1-12(11-23-5-3-4-20-23)10-19-14(24)22-8-6-21(7-9-22)13(2)15(16,17)18/h3-5,12-13H,6-11H2,1-2H3,(H,19,24)
InChIKeyXVWXMSFMTDVTJF-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.80
Rot. Bonds5

About N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (PubChem CID 71861959) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
PubChem CID71861959
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCC(CNC(=O)N1CCN(C(C)C(F)(F)F)CC1)Cn1cccn1
InChIInChI=1S/C15H24F3N5O/c1-12(11-23-5-3-4-20-23)10-19-14(24)22-8-6-21(7-9-22)13(2)15(16,17)18/h3-5,12-13H,6-11H2,1-2H3,(H,19,24)
InChIKeyXVWXMSFMTDVTJF-UHFFFAOYSA-N
XLogP1.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (CID 71861959) is N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is CC(CNC(=O)N1CCN(C(C)C(F)(F)F)CC1)Cn1cccn1.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The InChIKey is XVWXMSFMTDVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-12(11-23-5-3-4-20-23)10-19-14(24)22-8-6-21(7-9-22)13(2)15(16,17)18/h3-5,12-13H,6-11H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71861959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).