5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide

C9H18N4O2S — CID 61463527

IUPAC5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H18N4O2S/c1-4-6(2)7(3)13-16(14,15)8-5-11-12-9(8)10/h5-7,13H,4H2,1-3H3,(H3,10,11,12)
InChIKeyOAVIUWRIAQOWHI-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.70
Rot. Bonds5

About 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61463527) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61463527
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H18N4O2S/c1-4-6(2)7(3)13-16(14,15)8-5-11-12-9(8)10/h5-7,13H,4H2,1-3H3,(H3,10,11,12)
InChIKeyOAVIUWRIAQOWHI-UHFFFAOYSA-N
XLogP0.70
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60810253
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-amino-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61108156
5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide
CID 54963921
5-amino-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106327836
4-(2-methylbutylsulfonyl)-1H-pyrazol-5-amine
CID 107766279
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463662
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106063300
5-amino-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60810093
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide (CID 61463527) is 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OAVIUWRIAQOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-4-6(2)7(3)13-16(14,15)8-5-11-12-9(8)10/h5-7,13H,4H2,1-3H3,(H3,10,11,12).
What are the key properties of 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61463527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).