4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide

C8H13ClN4O2S — CID 3866141

IUPAC4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide
SMILESCCc1nn(C)c(C(N)=NS(C)(=O)=O)c1Cl
InChIInChI=1S/C8H13ClN4O2S/c1-4-5-6(9)7(13(2)11-5)8(10)12-16(3,14)15/h4H2,1-3H3,(H2,10,12)
InChIKeyMBQWKYDVUXKNHM-UHFFFAOYSA-N
MW264.74 g/mol
LogP0.30
Rot. Bonds3

About 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide

4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide (PubChem CID 3866141) has the molecular formula C8H13ClN4O2S and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide
PubChem CID3866141
Molecular FormulaC8H13ClN4O2S
Molecular Weight264.74 g/mol
Exact Mass264.04
IUPAC Name4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide
SMILESCCc1nn(C)c(C(N)=NS(C)(=O)=O)c1Cl
InChIInChI=1S/C8H13ClN4O2S/c1-4-5-6(9)7(13(2)11-5)8(10)12-16(3,14)15/h4H2,1-3H3,(H2,10,12)
InChIKeyMBQWKYDVUXKNHM-UHFFFAOYSA-N
XLogP0.30
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(R)-N-[(1S)-1-(4-chloro-1,5-dimethylpyrazol-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 178682543
5-(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 10847852
4-Chloro-3-ethyl-1-methyl-N-(methylsulfonyl)-1H-pyrazole-5-carboximidamide
CID 45042090
N-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 65858750
N-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 65859465
N-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]propyl]-N-ethylmethanesulfonamide
CID 65860251
2-(4-Chloro-1,3-dimethylpyrazol-5-yl)ethanimidamide
CID 65861776
N-[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]propyl]-N-ethylmethanesulfonamide
CID 65867699
N-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 65868313
2-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)ethanimidamide
CID 65868925
N-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 65870614
3-[(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-methylamino]butanimidamide
CID 65877223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide?
The IUPAC name of 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide (CID 3866141) is 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide.
What is the SMILES notation for 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide?
The canonical SMILES for 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide is CCc1nn(C)c(C(N)=NS(C)(=O)=O)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide?
The InChIKey is MBQWKYDVUXKNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2S/c1-4-5-6(9)7(13(2)11-5)8(10)12-16(3,14)15/h4H2,1-3H3,(H2,10,12).
What are the key properties of 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide?
4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide has a molecular weight of 264.74 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methyl-N'-methylsulfonylpyrazole-5-carboximidamide is sourced from PubChem (CID 3866141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).