N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide

C13H16N6O3S — CID 71997577

IUPACN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2nc(-c3ccco3)n[nH]2)cn1
InChIInChI=1S/C13H16N6O3S/c1-9(2)19-8-10(6-14-19)23(20,21)15-7-12-16-13(18-17-12)11-4-3-5-22-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,17,18)
InChIKeyUENMNKZUVRATTI-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.32
Rot. Bonds6

About N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71997577) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71997577
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC NameN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2nc(-c3ccco3)n[nH]2)cn1
InChIInChI=1S/C13H16N6O3S/c1-9(2)19-8-10(6-14-19)23(20,21)15-7-12-16-13(18-17-12)11-4-3-5-22-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,17,18)
InChIKeyUENMNKZUVRATTI-UHFFFAOYSA-N
XLogP1.32
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide
CID 96539862
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302
2,3,4,5,6-pentafluoro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide
CID 167893550
1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 71688277
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methoxyaniline
CID 39734358
5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 97048766
2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111805537

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71997577) is N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2nc(-c3ccco3)n[nH]2)cn1.
What is the InChIKey of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is UENMNKZUVRATTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/c1-9(2)19-8-10(6-14-19)23(20,21)15-7-12-16-13(18-17-12)11-4-3-5-22-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 336.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71997577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).