5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide

C10H15N5O2S — CID 106076457

IUPAC5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2c[nH]c(CN)c2)n1
InChIInChI=1S/C10H15N5O2S/c1-15-3-2-8(14-15)6-13-18(16,17)10-4-9(5-11)12-7-10/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyHICGWCSAGFWKEH-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.31
Rot. Bonds5

About 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106076457) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID106076457
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2c[nH]c(CN)c2)n1
InChIInChI=1S/C10H15N5O2S/c1-15-3-2-8(14-15)6-13-18(16,17)10-4-9(5-11)12-7-10/h2-4,7,12-13H,5-6,11H2,1H3
InChIKeyHICGWCSAGFWKEH-UHFFFAOYSA-N
XLogP-0.31
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 82873052
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106077320
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106546637
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872977
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106076432

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide (CID 106076457) is 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide is Cn1ccc(CNS(=O)(=O)c2c[nH]c(CN)c2)n1.
What is the InChIKey of 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is HICGWCSAGFWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-15-3-2-8(14-15)6-13-18(16,17)10-4-9(5-11)12-7-10/h2-4,7,12-13H,5-6,11H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106076457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).