N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide

C10H19N3O2S — CID 60959000

IUPACN,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C10H19N3O2S/c1-8(2)5-6-13(4)16(14,15)10-7-11-12-9(10)3/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyPJDNIYDJIOGVGQ-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.38
Rot. Bonds5

About N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide

N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959000) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID60959000
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C10H19N3O2S/c1-8(2)5-6-13(4)16(14,15)10-7-11-12-9(10)3/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyPJDNIYDJIOGVGQ-UHFFFAOYSA-N
XLogP1.38
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
CID 115640454
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959234
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912110
N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959564
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide (CID 60959000) is N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(C)CCC(C)C.
What is the InChIKey of N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PJDNIYDJIOGVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)5-6-13(4)16(14,15)10-7-11-12-9(10)3/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide?
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).