5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine

C7H14N4OS — CID 164656008

IUPAC5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine
SMILES[H]N=S(=O)(Nc1cc(C)[nH]n1)C(C)C
InChIInChI=1S/C7H14N4OS/c1-5(2)13(8,12)11-7-4-6(3)9-10-7/h4-5H,1-3H3,(H3,8,9,10,11,12)
InChIKeyDTSBHATYRSAPJB-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.50
Rot. Bonds3

About 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine

5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine (PubChem CID 164656008) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine
PubChem CID164656008
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine
SMILES[H]N=S(=O)(Nc1cc(C)[nH]n1)C(C)C
InChIInChI=1S/C7H14N4OS/c1-5(2)13(8,12)11-7-4-6(3)9-10-7/h4-5H,1-3H3,(H3,8,9,10,11,12)
InChIKeyDTSBHATYRSAPJB-UHFFFAOYSA-N
XLogP1.50
TPSA81.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)propane-2-sulfonamide
CID 115698347
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 116816196
3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 55259447
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 63822247
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide
CID 78952322
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63822246
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine (CID 164656008) is 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine is [H]N=S(=O)(Nc1cc(C)[nH]n1)C(C)C.
What is the InChIKey of 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine?
The InChIKey is DTSBHATYRSAPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-5(2)13(8,12)11-7-4-6(3)9-10-7/h4-5H,1-3H3,(H3,8,9,10,11,12).
What are the key properties of 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine?
5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine has a molecular weight of 202.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(propan-2-ylsulfonimidoyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 164656008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).