1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine

C8H15N3O2S — CID 117217258

IUPAC1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine
SMILESCCn1nc(N)cc1CS(=O)(=O)CC
InChIInChI=1S/C8H15N3O2S/c1-3-11-7(5-8(9)10-11)6-14(12,13)4-2/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeySAKVBSVERUFKAI-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.42
Rot. Bonds4

About 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine

1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine (PubChem CID 117217258) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine
PubChem CID117217258
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine
SMILESCCn1nc(N)cc1CS(=O)(=O)CC
InChIInChI=1S/C8H15N3O2S/c1-3-11-7(5-8(9)10-11)6-14(12,13)4-2/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeySAKVBSVERUFKAI-UHFFFAOYSA-N
XLogP0.42
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(ethylsulfonylmethyl)pyrazole-3-carboxylic acid
CID 117217264
2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid
CID 25248551
1-ethyl-5-iodopyrazol-3-amine
CID 154881729
methyl 3-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]-2-methylpropanoate
CID 66114468
5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole
CID 81198093
2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine
CID 81188101
3-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]-4-methylaniline
CID 81190186
5-(methylsulfonylmethyl)-1-propan-2-ylpyrazol-3-amine
CID 117217260
4-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]-3-methylaniline
CID 81184624
3-chloro-4-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]aniline
CID 81181970
4-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]aniline
CID 81207746
1-ethyl-3-nitropyrazol-5-amine
CID 146680468

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine (CID 117217258) is 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine is CCn1nc(N)cc1CS(=O)(=O)CC.
What is the InChIKey of 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine?
The InChIKey is SAKVBSVERUFKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-11-7(5-8(9)10-11)6-14(12,13)4-2/h5H,3-4,6H2,1-2H3,(H2,9,10).
What are the key properties of 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine?
1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine has a molecular weight of 217.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(ethylsulfonylmethyl)pyrazol-3-amine is sourced from PubChem (CID 117217258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).