N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C23H19N7O2S — CID 42105908

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1ccco1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H19N7O2S/c31-22(16-33-23-25-27-28-29(23)15-19-12-7-13-32-19)24-21-14-20(17-8-3-1-4-9-17)26-30(21)18-10-5-2-6-11-18/h1-14H,15-16H2,(H,24,31)
InChIKeyLXQCTURLYXKIHK-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.90
Rot. Bonds8

About N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 42105908) has the molecular formula C23H19N7O2S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID42105908
Molecular FormulaC23H19N7O2S
Molecular Weight457.52 g/mol
Exact Mass457.13
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1ccco1)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H19N7O2S/c31-22(16-33-23-25-27-28-29(23)15-19-12-7-13-32-19)24-21-14-20(17-8-3-1-4-9-17)26-30(21)18-10-5-2-6-11-18/h1-14H,15-16H2,(H,24,31)
InChIKeyLXQCTURLYXKIHK-UHFFFAOYSA-N
XLogP3.90
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 42105908) is N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1Cc1ccco1)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is LXQCTURLYXKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S/c31-22(16-33-23-25-27-28-29(23)15-19-12-7-13-32-19)24-21-14-20(17-8-3-1-4-9-17)26-30(21)18-10-5-2-6-11-18/h1-14H,15-16H2,(H,24,31).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 457.52 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 42105908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).