5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid

C7H8F3N3O2 — CID 105480219

IUPAC5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(C(F)(F)F)c1N
InChIInChI=1S/C7H8F3N3O2/c1-2-3-4(6(14)15)12-13(5(3)11)7(8,9)10/h2,11H2,1H3,(H,14,15)
InChIKeyXGVVUYPCPXXZHX-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.20
Rot. Bonds2

About 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid

5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid (PubChem CID 105480219) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
PubChem CID105480219
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(C(F)(F)F)c1N
InChIInChI=1S/C7H8F3N3O2/c1-2-3-4(6(14)15)12-13(5(3)11)7(8,9)10/h2,11H2,1H3,(H,14,15)
InChIKeyXGVVUYPCPXXZHX-UHFFFAOYSA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1,4-diethylpyrazole-3-carboxylic acid
CID 21432458
5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 105450680
methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044
5-amino-1-methyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105462570
5-amino-1-tert-butyl-4-propan-2-ylpyrazole-3-carboxylic acid
CID 105483141
methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165485668
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
4-ethyl-1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 105488015
6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 84676883
5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid
CID 105461888
methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085924
5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid
CID 105450679

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid (CID 105480219) is 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid is CCc1c(C(=O)O)nn(C(F)(F)F)c1N.
What is the InChIKey of 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid?
The InChIKey is XGVVUYPCPXXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-2-3-4(6(14)15)12-13(5(3)11)7(8,9)10/h2,11H2,1H3,(H,14,15).
What are the key properties of 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid?
5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid has a molecular weight of 223.15 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 105480219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).