N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C10H19N3O3S — CID 115901960

IUPACN-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCC(C)O
InChIInChI=1S/C10H19N3O3S/c1-7(14)5-6-13(4)17(15,16)10-8(2)11-12-9(10)3/h7,14H,5-6H2,1-4H3,(H,11,12)
InChIKeyLYZXXJLUXRNELX-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.42
Rot. Bonds5

About N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 115901960) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID115901960
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CCC(C)O
InChIInChI=1S/C10H19N3O3S/c1-7(14)5-6-13(4)17(15,16)10-8(2)11-12-9(10)3/h7,14H,5-6H2,1-4H3,(H,11,12)
InChIKeyLYZXXJLUXRNELX-UHFFFAOYSA-N
XLogP0.42
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60700329
N-(5-bromopentyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 107206330
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 54944904
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol
CID 115883095
N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 60960075
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 28708027
N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60700136
3,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60960289
N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110335663
N,3,5-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110716098
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 115901960) is N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LYZXXJLUXRNELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(14)5-6-13(4)17(15,16)10-8(2)11-12-9(10)3/h7,14H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115901960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).