1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide

C12H20N6O2S — CID 106017953

IUPAC1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NCCc2nccn2C)cn1
InChIInChI=1S/C12H20N6O2S/c1-13-5-8-18-10-11(9-15-18)21(19,20)16-4-3-12-14-6-7-17(12)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3
InChIKeyMKRQQACHIPKQPT-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.64
Rot. Bonds8

About 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide

1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 106017953) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID106017953
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NCCc2nccn2C)cn1
InChIInChI=1S/C12H20N6O2S/c1-13-5-8-18-10-11(9-15-18)21(19,20)16-4-3-12-14-6-7-17(12)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3
InChIKeyMKRQQACHIPKQPT-UHFFFAOYSA-N
XLogP-0.64
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-[2-(methylamino)ethyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 106064162
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106085254
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
N-(2-ethoxy-2-methylpropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106086810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide (CID 106017953) is 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)NCCc2nccn2C)cn1.
What is the InChIKey of 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is MKRQQACHIPKQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-13-5-8-18-10-11(9-15-18)21(19,20)16-4-3-12-14-6-7-17(12)2/h6-7,9-10,13,16H,3-5,8H2,1-2H3.
What are the key properties of 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide?
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of -0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106017953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).