1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine

C10H19N3O2S — CID 106724603

IUPAC1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19N3O2S/c1-8(2)16(14,15)6-5-11-10-7-13(4)12-9(10)3/h7-8,11H,5-6H2,1-4H3
InChIKeyNYSSZNIWNRVGNL-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.96
Rot. Bonds5

About 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine

1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine (PubChem CID 106724603) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
PubChem CID106724603
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H19N3O2S/c1-8(2)16(14,15)6-5-11-10-7-13(4)12-9(10)3/h7-8,11H,5-6H2,1-4H3
InChIKeyNYSSZNIWNRVGNL-UHFFFAOYSA-N
XLogP0.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
CID 102805295
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]ethylsulfonyl]benzonitrile
CID 102805471
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102806224
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669
2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723108
N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
CID 104956490
1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
CID 102805691
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 102803966
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine (CID 106724603) is 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine is Cc1nn(C)cc1NCCS(=O)(=O)C(C)C.
What is the InChIKey of 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine?
The InChIKey is NYSSZNIWNRVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)16(14,15)6-5-11-10-7-13(4)12-9(10)3/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine?
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine is sourced from PubChem (CID 106724603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).