2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O3 — CID 79258626

IUPAC2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1nccc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c1-14-6(2-3-13-14)8(18)15(4-7(16)17)5-9(10,11)12/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyQFJLIIBDLIVSHJ-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.51
Rot. Bonds4

About 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258626) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258626
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1nccc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c1-14-6(2-3-13-14)8(18)15(4-7(16)17)5-9(10,11)12/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyQFJLIIBDLIVSHJ-UHFFFAOYSA-N
XLogP0.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
2-(4-oxo-4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-5-yl)acetic acid
CID 12814061
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 4534181
(2E)-3-{methyl[(1-methyl-1H-pyrazol-5-yl)methyl]carbamoyl}prop-2-enoic acid
CID 19616648
3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 5253595
2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide
CID 51390284
[2-(difluoromethyl)pyrazol-3-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51428515
(3S)-3-ethyl-4-[(1-propyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 70775948

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258626) is 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cn1nccc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QFJLIIBDLIVSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-14-6(2-3-13-14)8(18)15(4-7(16)17)5-9(10,11)12/h2-3H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 265.19 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazole-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).