(2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

C15H23F3N4O2 — CID 95321118

IUPAC(2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN(C)C(=O)[C@H](C)n1cccn1
InChIInChI=1S/C15H23F3N4O2/c1-11(2)8-21(10-15(16,17)18)13(23)9-20(4)14(24)12(3)22-7-5-6-19-22/h5-7,11-12H,8-10H2,1-4H3/t12-/m0/s1
InChIKeySAMJOLXOPKKLPX-LBPRGKRZSA-N
MW348.37 g/mol
LogP1.95
Rot. Bonds7

About (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

(2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 95321118) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
PubChem CID95321118
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name(2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN(C)C(=O)[C@H](C)n1cccn1
InChIInChI=1S/C15H23F3N4O2/c1-11(2)8-21(10-15(16,17)18)13(23)9-20(4)14(24)12(3)22-7-5-6-19-22/h5-7,11-12H,8-10H2,1-4H3/t12-/m0/s1
InChIKeySAMJOLXOPKKLPX-LBPRGKRZSA-N
XLogP1.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (CID 95321118) is (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is CC(C)CN(CC(F)(F)F)C(=O)CN(C)C(=O)[C@H](C)n1cccn1.
What is the InChIKey of (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is SAMJOLXOPKKLPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-11(2)8-21(10-15(16,17)18)13(23)9-20(4)14(24)12(3)22-7-5-6-19-22/h5-7,11-12H,8-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 348.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 95321118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).