N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide

C7H8F3N3O2 — CID 157116190

IUPACN-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCOCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)3-15-4-11-6(14)5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyAHKYCRLOKPUPDT-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.68
Rot. Bonds4

About N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide

N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide (PubChem CID 157116190) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide
PubChem CID157116190
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC NameN-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCOCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)3-15-4-11-6(14)5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyAHKYCRLOKPUPDT-UHFFFAOYSA-N
XLogP0.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 114383559
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CID 56790133
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
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CID 111444730
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N-(2-amino-4-methylpentyl)-1H-pyrazole-5-carboxamide
CID 107158805
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
N-(2H-triazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 130942246
N-[2-[[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 99782382

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide (CID 157116190) is N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide is O=C(NCOCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AHKYCRLOKPUPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)3-15-4-11-6(14)5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13).
What are the key properties of N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide?
N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 223.15 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 157116190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).