4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid

C12H16F3N3O3 — CID 82009604

IUPAC4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O3/c1-8(2-3-11(20)21)6-16-10(19)7-18-5-4-9(17-18)12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,19)(H,20,21)
InChIKeyJUXCUDJKXRJVPA-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.52
Rot. Bonds7

About 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid

4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid (PubChem CID 82009604) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
PubChem CID82009604
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O3/c1-8(2-3-11(20)21)6-16-10(19)7-18-5-4-9(17-18)12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,19)(H,20,21)
InChIKeyJUXCUDJKXRJVPA-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
3-methyl-2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]butanoic acid
CID 65220362
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55349128
(2S,3R)-3-hydroxy-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 104965008
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 60812044
N-(4-hydroxy-3-methylbutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115735038
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8778807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid (CID 82009604) is 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
The InChIKey is JUXCUDJKXRJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-8(2-3-11(20)21)6-16-10(19)7-18-5-4-9(17-18)12(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid?
4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid has a molecular weight of 307.27 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 82009604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).