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

C17H28F3N5O — CID 118770646

IUPACN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)CCN2CCN(C)CC2)n1
InChIInChI=1S/C17H28F3N5O/c1-13(12-25-15(17(18,19)20)10-14(2)22-25)11-21-16(26)4-5-24-8-6-23(3)7-9-24/h10,13H,4-9,11-12H2,1-3H3,(H,21,26)
InChIKeyIYQPHOFXOKUWFJ-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.60
Rot. Bonds7

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

N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 118770646) has the molecular formula C17H28F3N5O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID118770646
Molecular FormulaC17H28F3N5O
Molecular Weight375.44 g/mol
Exact Mass375.22
IUPAC NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)CCN2CCN(C)CC2)n1
InChIInChI=1S/C17H28F3N5O/c1-13(12-25-15(17(18,19)20)10-14(2)22-25)11-21-16(26)4-5-24-8-6-23(3)7-9-24/h10,13H,4-9,11-12H2,1-3H3,(H,21,26)
InChIKeyIYQPHOFXOKUWFJ-UHFFFAOYSA-N
XLogP1.60
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 118770646) is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)CCN2CCN(C)CC2)n1.
What is the InChIKey of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is IYQPHOFXOKUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N5O/c1-13(12-25-15(17(18,19)20)10-14(2)22-25)11-21-16(26)4-5-24-8-6-23(3)7-9-24/h10,13H,4-9,11-12H2,1-3H3,(H,21,26).
What are the key properties of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 375.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 118770646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).