4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C9H13F3N4O2 — CID 69368658

IUPAC4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCOCCn1nc(C(F)(F)F)c(N)c1C(N)=O
InChIInChI=1S/C9H13F3N4O2/c1-2-18-4-3-16-6(8(14)17)5(13)7(15-16)9(10,11)12/h2-4,13H2,1H3,(H2,14,17)
InChIKeyYCFMAXYHXWUZNJ-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.62
Rot. Bonds5

About 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 69368658) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID69368658
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCOCCn1nc(C(F)(F)F)c(N)c1C(N)=O
InChIInChI=1S/C9H13F3N4O2/c1-2-18-4-3-16-6(8(14)17)5(13)7(15-16)9(10,11)12/h2-4,13H2,1H3,(H2,14,17)
InChIKeyYCFMAXYHXWUZNJ-UHFFFAOYSA-N
XLogP0.62
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 69368658) is 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CCOCCn1nc(C(F)(F)F)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YCFMAXYHXWUZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-2-18-4-3-16-6(8(14)17)5(13)7(15-16)9(10,11)12/h2-4,13H2,1H3,(H2,14,17).
What are the key properties of 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 69368658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).