N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C10H14F3N5O2 — CID 57434724

IUPACN-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCNC(=O)[C@H](CN)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N5O2/c1-15-9(20)6(3-14)16-8(19)5-4-18(2)17-7(5)10(11,12)13/h4,6H,3,14H2,1-2H3,(H,15,20)(H,16,19)/t6-/m0/s1
InChIKeyYOEFTJSHYHFACM-LURJTMIESA-N
MW293.25 g/mol
LogP-0.76
Rot. Bonds4

About N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 57434724) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID57434724
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC NameN-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCNC(=O)[C@H](CN)NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N5O2/c1-15-9(20)6(3-14)16-8(19)5-4-18(2)17-7(5)10(11,12)13/h4,6H,3,14H2,1-2H3,(H,15,20)(H,16,19)/t6-/m0/s1
InChIKeyYOEFTJSHYHFACM-LURJTMIESA-N
XLogP-0.76
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 57434724) is N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CNC(=O)[C@H](CN)NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is YOEFTJSHYHFACM-LURJTMIESA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-15-9(20)6(3-14)16-8(19)5-4-18(2)17-7(5)10(11,12)13/h4,6H,3,14H2,1-2H3,(H,15,20)(H,16,19)/t6-/m0/s1.
What are the key properties of N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 293.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57434724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).