5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide

C13H25N5O2S — CID 106052878

IUPAC5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCC2CCN(C)CC2)n[nH]c1C
InChIInChI=1S/C13H25N5O2S/c1-10-12(9-14-2)13(17-16-10)21(19,20)15-8-11-4-6-18(3)7-5-11/h11,14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyHPQUSGLUOBLDIA-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.06
Rot. Bonds6

About 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide

5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide (PubChem CID 106052878) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
PubChem CID106052878
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)NCC2CCN(C)CC2)n[nH]c1C
InChIInChI=1S/C13H25N5O2S/c1-10-12(9-14-2)13(17-16-10)21(19,20)15-8-11-4-6-18(3)7-5-11/h11,14-15H,4-9H2,1-3H3,(H,16,17)
InChIKeyHPQUSGLUOBLDIA-UHFFFAOYSA-N
XLogP0.06
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(methylaminomethyl)-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078547
4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
N-(4-ethylcyclohexyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106053045
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 115562882
1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 82751698
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
5-methyl-4-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106094369
4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106016475
5-methyl-4-(methylaminomethyl)-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106091335

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide (CID 106052878) is 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)NCC2CCN(C)CC2)n[nH]c1C.
What is the InChIKey of 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is HPQUSGLUOBLDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-10-12(9-14-2)13(17-16-10)21(19,20)15-8-11-4-6-18(3)7-5-11/h11,14-15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide?
5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106052878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).