N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H18N6O2S — CID 106094931

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C11H18N6O2S/c1-8-9(6-14-17(8)3)7-15-20(18,19)11-10(4-12-2)5-13-16-11/h5-6,12,15H,4,7H2,1-3H3,(H,13,16)
InChIKeyHUWWJXJBGVMMFJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.35
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106094931) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106094931
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C11H18N6O2S/c1-8-9(6-14-17(8)3)7-15-20(18,19)11-10(4-12-2)5-13-16-11/h5-6,12,15H,4,7H2,1-3H3,(H,13,16)
InChIKeyHUWWJXJBGVMMFJ-UHFFFAOYSA-N
XLogP-0.35
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106094973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
4-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106054558
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
N-[(2-methoxyphenyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106046935
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094908
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
4-(methylaminomethyl)-N-[3-(triazol-1-yl)propyl]-1H-pyrazole-5-sulfonamide
CID 106077016
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106094931) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HUWWJXJBGVMMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8-9(6-14-17(8)3)7-15-20(18,19)11-10(4-12-2)5-13-16-11/h5-6,12,15H,4,7H2,1-3H3,(H,13,16).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106094931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).