4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide

C8H11N5O4S — CID 106410541

IUPAC4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncno1)c1[nH]ncc1CO
InChIInChI=1S/C8H11N5O4S/c14-4-6-3-10-13-8(6)18(15,16)12-2-1-7-9-5-11-17-7/h3,5,12,14H,1-2,4H2,(H,10,13)
InChIKeyFIOUUYDHKYUUHJ-UHFFFAOYSA-N
MW273.27 g/mol
LogP-1.19
Rot. Bonds6

About 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide

4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106410541) has the molecular formula C8H11N5O4S and a molecular weight of 273.27 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID106410541
Molecular FormulaC8H11N5O4S
Molecular Weight273.27 g/mol
Exact Mass273.05
IUPAC Name4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncno1)c1[nH]ncc1CO
InChIInChI=1S/C8H11N5O4S/c14-4-6-3-10-13-8(6)18(15,16)12-2-1-7-9-5-11-17-7/h3,5,12,14H,1-2,4H2,(H,10,13)
InChIKeyFIOUUYDHKYUUHJ-UHFFFAOYSA-N
XLogP-1.19
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 114188372
4-(hydroxymethyl)-N-(7-methyloctyl)-1H-pyrazole-5-sulfonamide
CID 107818591
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106396401
4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
CID 106044114
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(hydroxymethyl)-1H-pyrazole-5-sulfonamide
CID 106013667
1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
CID 106410575
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392329
4-amino-2,6-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392197
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 106410541) is 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCc1ncno1)c1[nH]ncc1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is FIOUUYDHKYUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4S/c14-4-6-3-10-13-8(6)18(15,16)12-2-1-7-9-5-11-17-7/h3,5,12,14H,1-2,4H2,(H,10,13).
What are the key properties of 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 273.27 g/mol, XLogP of -1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106410541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).