N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide

C9H16N4O2S — CID 63765093

IUPACN-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(N)C2CC2)cn1
InChIInChI=1S/C9H16N4O2S/c1-13-6-8(4-11-13)16(14,15)12-5-9(10)7-2-3-7/h4,6-7,9,12H,2-3,5,10H2,1H3
InChIKeyBRYPAEMOVILDKT-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.56
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide

N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 63765093) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID63765093
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(N)C2CC2)cn1
InChIInChI=1S/C9H16N4O2S/c1-13-6-8(4-11-13)16(14,15)12-5-9(10)7-2-3-7/h4,6-7,9,12H,2-3,5,10H2,1H3
InChIKeyBRYPAEMOVILDKT-UHFFFAOYSA-N
XLogP-0.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
CID 94025288
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
CID 120582741
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
CID 120582771
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide (CID 63765093) is N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(N)C2CC2)cn1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is BRYPAEMOVILDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13-6-8(4-11-13)16(14,15)12-5-9(10)7-2-3-7/h4,6-7,9,12H,2-3,5,10H2,1H3.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide?
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 63765093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).