2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H11F3N4O2 — CID 79258738

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nn(C)c(N(CC(=O)O)CC(F)(F)F)c1C#N
InChIInChI=1S/C10H11F3N4O2/c1-6-7(3-14)9(16(2)15-6)17(4-8(18)19)5-10(11,12)13/h4-5H2,1-2H3,(H,18,19)
InChIKeyNPYOYVOGSIIWLP-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.05
Rot. Bonds4

About 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258738) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258738
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nn(C)c(N(CC(=O)O)CC(F)(F)F)c1C#N
InChIInChI=1S/C10H11F3N4O2/c1-6-7(3-14)9(16(2)15-6)17(4-8(18)19)5-10(11,12)13/h4-5H2,1-2H3,(H,18,19)
InChIKeyNPYOYVOGSIIWLP-UHFFFAOYSA-N
XLogP1.05
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258738) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nn(C)c(N(CC(=O)O)CC(F)(F)F)c1C#N.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is NPYOYVOGSIIWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-6-7(3-14)9(16(2)15-6)17(4-8(18)19)5-10(11,12)13/h4-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 276.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).