(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide

C13H21F3N4O — CID 97341719

IUPAC(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H21F3N4O/c1-5-8(2)10(17)12(21)19(3)6-9-7-20(4)18-11(9)13(14,15)16/h7-8,10H,5-6,17H2,1-4H3/t8-,10-/m0/s1
InChIKeyAZFIRPRPVFGTHK-WPRPVWTQSA-N
MW306.33 g/mol
LogP1.77
Rot. Bonds5

About (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide

(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide (PubChem CID 97341719) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
PubChem CID97341719
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H21F3N4O/c1-5-8(2)10(17)12(21)19(3)6-9-7-20(4)18-11(9)13(14,15)16/h7-8,10H,5-6,17H2,1-4H3/t8-,10-/m0/s1
InChIKeyAZFIRPRPVFGTHK-WPRPVWTQSA-N
XLogP1.77
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide (CID 97341719) is (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F.
What is the InChIKey of (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
The InChIKey is AZFIRPRPVFGTHK-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-5-8(2)10(17)12(21)19(3)6-9-7-20(4)18-11(9)13(14,15)16/h7-8,10H,5-6,17H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide has a molecular weight of 306.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide is sourced from PubChem (CID 97341719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).