2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H14F3N3O2 — CID 79791403

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1cc(CNC(C)(C(=O)O)C(F)(F)F)n(C)n1
InChIInChI=1S/C10H14F3N3O2/c1-6-4-7(16(3)15-6)5-14-9(2,8(17)18)10(11,12)13/h4,14H,5H2,1-3H3,(H,17,18)
InChIKeyUBIVPHMDABKLQJ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.22
Rot. Bonds4

About 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79791403) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79791403
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1cc(CNC(C)(C(=O)O)C(F)(F)F)n(C)n1
InChIInChI=1S/C10H14F3N3O2/c1-6-4-7(16(3)15-6)5-14-9(2,8(17)18)10(11,12)13/h4,14H,5H2,1-3H3,(H,17,18)
InChIKeyUBIVPHMDABKLQJ-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 596118
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485412
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]propanoic acid
CID 6485707
2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 17024663
2-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 67464323
3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid
CID 1229844
5-(Difluoromethyl)-3-methyl-1H-pyrazole-1-acetic acid
CID 4175028
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 6485413
2-(3,5-bis(difluoromethyl)-1H-pyrazol-1-yl)propanoic acid
CID 17024830
2-(3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid hydrochloride
CID 45792448
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 17024870

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79791403) is 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid is Cc1cc(CNC(C)(C(=O)O)C(F)(F)F)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is UBIVPHMDABKLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6-4-7(16(3)15-6)5-14-9(2,8(17)18)10(11,12)13/h4,14H,5H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 265.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79791403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).