N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

C14H26N4O2S — CID 120711253

IUPACN-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(CN)C1CC1
InChIInChI=1S/C14H26N4O2S/c1-9(2)8-18-11(4)14(10(3)16-18)21(19,20)17-13(7-15)12-5-6-12/h9,12-13,17H,5-8,15H2,1-4H3
InChIKeyZXGVBIVOCHXOAT-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.17
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 120711253) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID120711253
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(CN)C1CC1
InChIInChI=1S/C14H26N4O2S/c1-9(2)8-18-11(4)14(10(3)16-18)21(19,20)17-13(7-15)12-5-6-12/h9,12-13,17H,5-8,15H2,1-4H3
InChIKeyZXGVBIVOCHXOAT-UHFFFAOYSA-N
XLogP1.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
CID 8901194
N-cyclopropyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 8167944
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 16273067
N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
2-[2-Methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
CID 47185639
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
5-(aminomethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 145905149
N-{(3S*,4R*)-4-isopropyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinyl}methanesulfonamide
CID 70742820
N-cycloheptyl-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582879

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 120711253) is N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is ZXGVBIVOCHXOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-9(2)8-18-11(4)14(10(3)16-18)21(19,20)17-13(7-15)12-5-6-12/h9,12-13,17H,5-8,15H2,1-4H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120711253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).