[5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

C15H24N6O3S — CID 50971004

IUPAC[5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1cc(S(=O)(=O)N2CCC(Cc3nnc(CO)n3C)CC2)cn1
InChIInChI=1S/C15H24N6O3S/c1-3-20-10-13(9-16-20)25(23,24)21-6-4-12(5-7-21)8-14-17-18-15(11-22)19(14)2/h9-10,12,22H,3-8,11H2,1-2H3
InChIKeyKDHDUYRGOMWFGG-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.17
Rot. Bonds6

About [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

[5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 50971004) has the molecular formula C15H24N6O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID50971004
Molecular FormulaC15H24N6O3S
Molecular Weight368.46 g/mol
Exact Mass368.16
IUPAC Name[5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1cc(S(=O)(=O)N2CCC(Cc3nnc(CO)n3C)CC2)cn1
InChIInChI=1S/C15H24N6O3S/c1-3-20-10-13(9-16-20)25(23,24)21-6-4-12(5-7-21)8-14-17-18-15(11-22)19(14)2/h9-10,12,22H,3-8,11H2,1-2H3
InChIKeyKDHDUYRGOMWFGG-UHFFFAOYSA-N
XLogP0.17
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 50971004) is [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is CCn1cc(S(=O)(=O)N2CCC(Cc3nnc(CO)n3C)CC2)cn1.
What is the InChIKey of [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is KDHDUYRGOMWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3S/c1-3-20-10-13(9-16-20)25(23,24)21-6-4-12(5-7-21)8-14-17-18-15(11-22)19(14)2/h9-10,12,22H,3-8,11H2,1-2H3.
What are the key properties of [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 368.46 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50971004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).