3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide

C10H18N8O2S — CID 106051653

IUPAC3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NCc2nn[nH]n2)c1C
InChIInChI=1S/C10H18N8O2S/c1-7-10(8(2)18(15-7)5-4-11-3)21(19,20)12-6-9-13-16-17-14-9/h11-12H,4-6H2,1-3H3,(H,13,14,16,17)
InChIKeyLGDOEOOHLBSQSY-UHFFFAOYSA-N
MW314.38 g/mol
LogP-1.29
Rot. Bonds7

About 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide

3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 106051653) has the molecular formula C10H18N8O2S and a molecular weight of 314.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
PubChem CID106051653
Molecular FormulaC10H18N8O2S
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NCc2nn[nH]n2)c1C
InChIInChI=1S/C10H18N8O2S/c1-7-10(8(2)18(15-7)5-4-11-3)21(19,20)12-6-9-13-16-17-14-9/h11-12H,4-6H2,1-3H3,(H,13,14,16,17)
InChIKeyLGDOEOOHLBSQSY-UHFFFAOYSA-N
XLogP-1.29
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
N',N',3,5-tetramethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonohydrazide
CID 114141849
N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
CID 106032215
N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106067618
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
CID 106075859
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106504713
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106083978
N-(1-cyclopropylpropan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106065859
1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide (CID 106051653) is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide is CNCCn1nc(C)c(S(=O)(=O)NCc2nn[nH]n2)c1C.
What is the InChIKey of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is LGDOEOOHLBSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N8O2S/c1-7-10(8(2)18(15-7)5-4-11-3)21(19,20)12-6-9-13-16-17-14-9/h11-12H,4-6H2,1-3H3,(H,13,14,16,17).
What are the key properties of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide?
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 314.38 g/mol, XLogP of -1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106051653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).