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

C8H12N6O3S — CID 106411247

IUPAC4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C8H12N6O3S/c9-3-6-4-11-14-8(6)18(15,16)13-2-1-7-10-5-12-17-7/h4-5,13H,1-3,9H2,(H,11,14)
InChIKeyBRLYXVONTFMSBK-UHFFFAOYSA-N
MW272.29 g/mol
LogP-1.23
Rot. Bonds6

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

4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106411247) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID106411247
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC Name4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C8H12N6O3S/c9-3-6-4-11-14-8(6)18(15,16)13-2-1-7-10-5-12-17-7/h4-5,13H,1-3,9H2,(H,11,14)
InChIKeyBRLYXVONTFMSBK-UHFFFAOYSA-N
XLogP-1.23
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 131929095
CID 131929095
CID 65787974
CID 65787974
CID 65788354
CID 65788354
CID 65789318
CID 65789318
CID 65789319
CID 65789319
CID 65790082
CID 65790082
CID 103744457
CID 103744457
CID 103836980
CID 103836980
CID 106392198
CID 106392198
CID 106405998
CID 106405998
CID 106410541
CID 106410541
CID 106410680
CID 106410680

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 106411247) is 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is NCc1cn[nH]c1S(=O)(=O)NCCc1ncno1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is BRLYXVONTFMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c9-3-6-4-11-14-8(6)18(15,16)13-2-1-7-10-5-12-17-7/h4-5,13H,1-3,9H2,(H,11,14).
What are the key properties of 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of -1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106411247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).