N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

C9H17N3O2S — CID 102693049

IUPACN-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O2S/c1-5-9(2,3)12(4)15(13,14)8-6-7-10-11-8/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyBZJZDLPWQPYSCI-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.22
Rot. Bonds4

About N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide

N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693049) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693049
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O2S/c1-5-9(2,3)12(4)15(13,14)8-6-7-10-11-8/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyBZJZDLPWQPYSCI-UHFFFAOYSA-N
XLogP1.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691082
N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690477
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693435
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 107206389
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691103
2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 63960806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102693049) is N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CCC(C)(C)N(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is BZJZDLPWQPYSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-5-9(2,3)12(4)15(13,14)8-6-7-10-11-8/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).