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

C7H9F3N4O2 — CID 70324440

IUPAC4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1c(N)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)5-3(11)4(6(12)16)14(13-5)1-2-15/h15H,1-2,11H2,(H2,12,16)
InChIKeyLLWYKTZXXJMREK-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.42
Rot. Bonds3

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

4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 70324440) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID70324440
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1c(N)c(C(F)(F)F)nn1CCO
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)5-3(11)4(6(12)16)14(13-5)1-2-15/h15H,1-2,11H2,(H2,12,16)
InChIKeyLLWYKTZXXJMREK-UHFFFAOYSA-N
XLogP-0.42
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 70324440) is 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is NC(=O)c1c(N)c(C(F)(F)F)nn1CCO.
What is the InChIKey of 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LLWYKTZXXJMREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)5-3(11)4(6(12)16)14(13-5)1-2-15/h15H,1-2,11H2,(H2,12,16).
What are the key properties of 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 238.17 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).