1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

C10H16N6O2S — CID 106018180

IUPAC1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cnn(CCN)c2)cn1
InChIInChI=1S/C10H16N6O2S/c1-15-7-9(4-12-15)5-14-19(17,18)10-6-13-16(8-10)3-2-11/h4,6-8,14H,2-3,5,11H2,1H3
InChIKeyRKANMIIEWXFPAC-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.95
Rot. Bonds6

About 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 106018180) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID106018180
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC Name1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cnn(CCN)c2)cn1
InChIInChI=1S/C10H16N6O2S/c1-15-7-9(4-12-15)5-14-19(17,18)10-6-13-16(8-10)3-2-11/h4,6-8,14H,2-3,5,11H2,1H3
InChIKeyRKANMIIEWXFPAC-UHFFFAOYSA-N
XLogP-0.95
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 61349658
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423982
1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide
CID 106067299
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 106018180) is 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is Cn1cc(CNS(=O)(=O)c2cnn(CCN)c2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is RKANMIIEWXFPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-15-7-9(4-12-15)5-14-19(17,18)10-6-13-16(8-10)3-2-11/h4,6-8,14H,2-3,5,11H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106018180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).