5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

C9H14N6O2S — CID 61215140

IUPAC5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14N6O2S/c1-15-5-4-11-8(15)2-3-13-18(16,17)7-6-12-14-9(7)10/h4-6,13H,2-3H2,1H3,(H3,10,12,14)
InChIKeyFULSYLLAUGHFGF-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.75
Rot. Bonds5

About 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61215140) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID61215140
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H14N6O2S/c1-15-5-4-11-8(15)2-3-13-18(16,17)7-6-12-14-9(7)10/h4-6,13H,2-3H2,1H3,(H3,10,12,14)
InChIKeyFULSYLLAUGHFGF-UHFFFAOYSA-N
XLogP-0.75
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 61215140) is 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cn1ccnc1CCNS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FULSYLLAUGHFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-15-5-4-11-8(15)2-3-13-18(16,17)7-6-12-14-9(7)10/h4-6,13H,2-3H2,1H3,(H3,10,12,14).
What are the key properties of 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 270.32 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61215140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).