4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide

C12H22N4O2S — CID 106088314

IUPAC4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C12H22N4O2S/c1-9-4-3-5-10(9)8-15-19(17,18)12-11(6-13-2)7-14-16-12/h7,9-10,13,15H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyUXTGJPXRIMBNMV-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.84
Rot. Bonds6

About 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106088314) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106088314
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C12H22N4O2S/c1-9-4-3-5-10(9)8-15-19(17,18)12-11(6-13-2)7-14-16-12/h7,9-10,13,15H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyUXTGJPXRIMBNMV-UHFFFAOYSA-N
XLogP0.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106018506
4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064257
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106002887
N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088324
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
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-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106090960
4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide (CID 106088314) is 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NCC1CCCC1C.
What is the InChIKey of 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is UXTGJPXRIMBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-4-3-5-10(9)8-15-19(17,18)12-11(6-13-2)7-14-16-12/h7,9-10,13,15H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106088314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).