4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide

C11H18N6O2S — CID 106056788

IUPAC4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1CN
InChIInChI=1S/C11H18N6O2S/c1-7(2)17-6-9(5-13-17)16-20(18,19)11-10(4-12)8(3)14-15-11/h5-7,16H,4,12H2,1-3H3,(H,14,15)
InChIKeyMIKMHHFKTPCFDO-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.76
Rot. Bonds5

About 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide (PubChem CID 106056788) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
PubChem CID106056788
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1CN
InChIInChI=1S/C11H18N6O2S/c1-7(2)17-6-9(5-13-17)16-20(18,19)11-10(4-12)8(3)14-15-11/h5-7,16H,4,12H2,1-3H3,(H,14,15)
InChIKeyMIKMHHFKTPCFDO-UHFFFAOYSA-N
XLogP0.76
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 62904467
4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
CID 106063173
4-(aminomethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106092020
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938
6-amino-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62903961
4-(aminomethyl)-2-fluoro-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 106056789
5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide
CID 106056815
3-amino-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzenesulfonamide
CID 62902814
4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106061259
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383213
2-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62903564
4-amino-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 62902817

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide (CID 106056788) is 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide?
The InChIKey is MIKMHHFKTPCFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-7(2)17-6-9(5-13-17)16-20(18,19)11-10(4-12)8(3)14-15-11/h5-7,16H,4,12H2,1-3H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106056788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).