2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O3 — CID 79258544

IUPAC2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1[nH]ncc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c1-5-6(2-13-14-5)8(18)15(3-7(16)17)4-9(10,11)12/h2H,3-4H2,1H3,(H,13,14)(H,16,17)
InChIKeyNADBWEQSQHWQFU-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.81
Rot. Bonds4

About 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258544) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258544
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1[nH]ncc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c1-5-6(2-13-14-5)8(18)15(3-7(16)17)4-9(10,11)12/h2H,3-4H2,1H3,(H,13,14)(H,16,17)
InChIKeyNADBWEQSQHWQFU-UHFFFAOYSA-N
XLogP0.81
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132289687
(3,3-difluoropyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132291935
2-[[1-Methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 57519474
(5-methyl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65532803
2-[[1-Methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
CID 68590137
5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 68918114
(2S)-2-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]propanoic acid
CID 70964020
N-(1-hydroxypropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 141470771
N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 142786101
5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 142786102
N-(1,3-diamino-1-oxopropan-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 143525982

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258544) is 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1[nH]ncc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is NADBWEQSQHWQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-5-6(2-13-14-5)8(18)15(3-7(16)17)4-9(10,11)12/h2H,3-4H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 265.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).