3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide

C10H19N3O2S — CID 43091250

IUPAC3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C10H19N3O2S/c1-6(2)7(3)13-16(14,15)10-8(4)11-12-9(10)5/h6-7,13H,1-5H3,(H,11,12)
InChIKeyGDQBLYMYXKQKJE-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.35
Rot. Bonds4

About 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 43091250) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID43091250
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C10H19N3O2S/c1-6(2)7(3)13-16(14,15)10-8(4)11-12-9(10)5/h6-7,13H,1-5H3,(H,11,12)
InChIKeyGDQBLYMYXKQKJE-UHFFFAOYSA-N
XLogP1.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
N-[4-(dimethylamino)butan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54968744
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61273722
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103918614
3,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 103914964
3,5-dimethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 62844265
2-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
CID 55108733
3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43397195
N-hex-5-yn-3-yl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 115901958
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
CID 104935418
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
CID 61145220
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 43091250) is 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC(C)C(C)C.
What is the InChIKey of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GDQBLYMYXKQKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-6(2)7(3)13-16(14,15)10-8(4)11-12-9(10)5/h6-7,13H,1-5H3,(H,11,12).
What are the key properties of 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43091250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).