5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C15H18N4O4S — CID 91277726

IUPAC5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCC(C)Cn1cc(-c2ccc(O)c(N3C=C(O)NS3(=O)=O)c2)cn1
InChIInChI=1S/C15H18N4O4S/c1-10(2)7-18-8-12(6-16-18)11-3-4-14(20)13(5-11)19-9-15(21)17-24(19,22)23/h3-6,8-10,17,20-21H,7H2,1-2H3
InChIKeyGSNAHQMUYWHOQY-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.92
Rot. Bonds4

About 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 91277726) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID91277726
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCC(C)Cn1cc(-c2ccc(O)c(N3C=C(O)NS3(=O)=O)c2)cn1
InChIInChI=1S/C15H18N4O4S/c1-10(2)7-18-8-12(6-16-18)11-3-4-14(20)13(5-11)19-9-15(21)17-24(19,22)23/h3-6,8-10,17,20-21H,7H2,1-2H3
InChIKeyGSNAHQMUYWHOQY-UHFFFAOYSA-N
XLogP1.92
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-hydroxy-5-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91592445
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol
CID 141204872
2-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637756
2-[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]ethanol
CID 166638800
2,6-dimethyl-4-[1-(2-methylpropyl)pyrazol-4-yl]benzoic acid
CID 172876929
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-methylpyrazol-4-yl)phenol
CID 141204876
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 121385049
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
(2S)-1-[4-(4-fluorophenyl)pyrazol-1-yl]propan-2-amine
CID 90069330
2-[[3-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]sulfonylamino]benzoic acid
CID 44605019
3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide
CID 63328310

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 91277726) is 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is CC(C)Cn1cc(-c2ccc(O)c(N3C=C(O)NS3(=O)=O)c2)cn1.
What is the InChIKey of 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is GSNAHQMUYWHOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10(2)7-18-8-12(6-16-18)11-3-4-14(20)13(5-11)19-9-15(21)17-24(19,22)23/h3-6,8-10,17,20-21H,7H2,1-2H3.
What are the key properties of 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 350.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-5-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91277726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).