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

C11H20N4O2S — CID 106064257

IUPAC4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C11H20N4O2S/c1-8-4-3-5-10(8)15-18(16,17)11-9(6-12-2)7-13-14-11/h7-8,10,12,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyXWCJOHZTMQIHOU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.60
Rot. Bonds5

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

4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106064257) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
PubChem CID106064257
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C11H20N4O2S/c1-8-4-3-5-10(8)15-18(16,17)11-9(6-12-2)7-13-14-11/h7-8,10,12,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyXWCJOHZTMQIHOU-UHFFFAOYSA-N
XLogP0.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064191
4-(methylaminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076678
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106002887
4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106088314
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106093464
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076683
4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
N-(1-ethylcyclobutyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 113489224
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide (CID 106064257) is 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NC1CCCC1C.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is XWCJOHZTMQIHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-4-3-5-10(8)15-18(16,17)11-9(6-12-2)7-13-14-11/h7-8,10,12,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.60, 5 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)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106064257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).