1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide

C10H19N5O2S — CID 79850274

IUPAC1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H19N5O2S/c1-7-8(9(11)12)10(15(3)13-7)14(2)5-6-18(4,16)17/h5-6H2,1-4H3,(H3,11,12)
InChIKeySJYCZEUYKTWHFM-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.51
Rot. Bonds5

About 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide

1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide (PubChem CID 79850274) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
PubChem CID79850274
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H19N5O2S/c1-7-8(9(11)12)10(15(3)13-7)14(2)5-6-18(4,16)17/h5-6H2,1-4H3,(H3,11,12)
InChIKeySJYCZEUYKTWHFM-UHFFFAOYSA-N
XLogP-0.51
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79859068
4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide
CID 79849915
3-[1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazol-4-yl]prop-2-enoic acid
CID 79850299
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 63750874
5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751036
5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 113467795
5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751034
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 55242716
5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 78950744

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide (CID 79850274) is 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(C)CCS(C)(=O)=O.
What is the InChIKey of 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide?
The InChIKey is SJYCZEUYKTWHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-7-8(9(11)12)10(15(3)13-7)14(2)5-6-18(4,16)17/h5-6H2,1-4H3,(H3,11,12).
What are the key properties of 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide?
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide has a molecular weight of 273.36 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide is sourced from PubChem (CID 79850274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).