5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide

C14H13F3N6O3 — CID 71793229

IUPAC5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)c2cc(-c3ccco3)[nH]n2)c1=O
InChIInChI=1S/C14H13F3N6O3/c1-22-12(14(15,16)17)21-23(13(22)25)5-4-18-11(24)9-7-8(19-20-9)10-3-2-6-26-10/h2-3,6-7H,4-5H2,1H3,(H,18,24)(H,19,20)
InChIKeyUKGRKAYAEJVANG-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.01
Rot. Bonds5

About 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 71793229) has the molecular formula C14H13F3N6O3 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID71793229
Molecular FormulaC14H13F3N6O3
Molecular Weight370.29 g/mol
Exact Mass370.10
IUPAC Name5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)c2cc(-c3ccco3)[nH]n2)c1=O
InChIInChI=1S/C14H13F3N6O3/c1-22-12(14(15,16)17)21-23(13(22)25)5-4-18-11(24)9-7-8(19-20-9)10-3-2-6-26-10/h2-3,6-7H,4-5H2,1H3,(H,18,24)(H,19,20)
InChIKeyUKGRKAYAEJVANG-UHFFFAOYSA-N
XLogP1.01
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide (CID 71793229) is 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide is Cn1c(C(F)(F)F)nn(CCNC(=O)c2cc(-c3ccco3)[nH]n2)c1=O.
What is the InChIKey of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UKGRKAYAEJVANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O3/c1-22-12(14(15,16)17)21-23(13(22)25)5-4-18-11(24)9-7-8(19-20-9)10-3-2-6-26-10/h2-3,6-7H,4-5H2,1H3,(H,18,24)(H,19,20).
What are the key properties of 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71793229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).