N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide

C11H19N3O3S — CID 102847530

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H19N3O3S/c1-13-11(6-7-12-13)18(16,17)14(8-3-9-15)10-4-2-5-10/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyREDMEOWQRJHUPZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.35
Rot. Bonds6

About N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide

N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 102847530) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
PubChem CID102847530
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H19N3O3S/c1-13-11(6-7-12-13)18(16,17)14(8-3-9-15)10-4-2-5-10/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyREDMEOWQRJHUPZ-UHFFFAOYSA-N
XLogP0.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710366
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
CID 102859015
2-[(2-methylpyrazol-3-yl)sulfonyl-piperidin-3-ylamino]acetamide
CID 104709486
3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 166279165
N-cyclobutyl-1-ethyl-N-(3-hydroxypropyl)imidazole-4-sulfonamide
CID 102847487
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
N-cyclobutyl-N-(3-hydroxypropyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 102847607
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102861360
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide (CID 102847530) is N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is REDMEOWQRJHUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-13-11(6-7-12-13)18(16,17)14(8-3-9-15)10-4-2-5-10/h6-7,10,15H,2-5,8-9H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 102847530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).