4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide

C7H9F3N4O2 — CID 107345280

IUPAC4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CCOC(F)(F)F)cc1N
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)16-2-1-14-3-4(11)5(13-14)6(12)15/h3H,1-2,11H2,(H2,12,15)
InChIKeyMTADHFLWNRGLFF-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.10
Rot. Bonds4

About 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide

4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide (PubChem CID 107345280) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide
PubChem CID107345280
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CCOC(F)(F)F)cc1N
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)16-2-1-14-3-4(11)5(13-14)6(12)15/h3H,1-2,11H2,(H2,12,15)
InChIKeyMTADHFLWNRGLFF-UHFFFAOYSA-N
XLogP0.10
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide (CID 107345280) is 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide is NC(=O)c1nn(CCOC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide?
The InChIKey is MTADHFLWNRGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)16-2-1-14-3-4(11)5(13-14)6(12)15/h3H,1-2,11H2,(H2,12,15).
What are the key properties of 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide?
4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide has a molecular weight of 238.17 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).