N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide

C10H18N4O2S — CID 102693004

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H18N4O2S/c1-13-6-4-9(7-13)8-14(2)17(15,16)10-3-5-11-12-10/h3,5,9H,4,6-8H2,1-2H3,(H,11,12)
InChIKeyWEFGMQAREWXUCI-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.02
Rot. Bonds4

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693004) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693004
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCN1CCC(CN(C)S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C10H18N4O2S/c1-13-6-4-9(7-13)8-14(2)17(15,16)10-3-5-11-12-10/h3,5,9H,4,6-8H2,1-2H3,(H,11,12)
InChIKeyWEFGMQAREWXUCI-UHFFFAOYSA-N
XLogP-0.02
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692168
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692813
N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692869
N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 102693131
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 113725644
N,N-dimethyl-1H-pyrazole-3-sulfonamide
CID 66857593
N',N'-dimethyl-1H-pyrazole-5-sulfonohydrazide
CID 102693284
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47372669

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 102693004) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide is CN1CCC(CN(C)S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is WEFGMQAREWXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-13-6-4-9(7-13)8-14(2)17(15,16)10-3-5-11-12-10/h3,5,9H,4,6-8H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).