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

C10H16N6O2S — CID 106017929

IUPAC4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C10H16N6O2S/c1-16-5-4-12-9(16)2-3-14-19(17,18)10-8(6-11)7-13-15-10/h4-5,7,14H,2-3,6,11H2,1H3,(H,13,15)
InChIKeySIGKTXVNGHTXSQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.88
Rot. Bonds6

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

4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106017929) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID106017929
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC Name4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C10H16N6O2S/c1-16-5-4-12-9(16)2-3-14-19(17,18)10-8(6-11)7-13-15-10/h4-5,7,14H,2-3,6,11H2,1H3,(H,13,15)
InChIKeySIGKTXVNGHTXSQ-UHFFFAOYSA-N
XLogP-0.88
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61215128
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
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
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 51123228
5-amino-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214865
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 106017929) is 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is Cn1ccnc1CCNS(=O)(=O)c1[nH]ncc1CN.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is SIGKTXVNGHTXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-16-5-4-12-9(16)2-3-14-19(17,18)10-8(6-11)7-13-15-10/h4-5,7,14H,2-3,6,11H2,1H3,(H,13,15).
What are the key properties of 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106017929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).