3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine

C10H19N3O2S — CID 81195208

IUPAC3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine
SMILESCCn1cc(CS(=O)(=O)C(C)CCN)cn1
InChIInChI=1S/C10H19N3O2S/c1-3-13-7-10(6-12-13)8-16(14,15)9(2)4-5-11/h6-7,9H,3-5,8,11H2,1-2H3
InChIKeyMTAZFLFTJYOFMB-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.56
Rot. Bonds6

About 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine

3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine (PubChem CID 81195208) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine
PubChem CID81195208
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine
SMILESCCn1cc(CS(=O)(=O)C(C)CCN)cn1
InChIInChI=1S/C10H19N3O2S/c1-3-13-7-10(6-12-13)8-16(14,15)9(2)4-5-11/h6-7,9H,3-5,8,11H2,1-2H3
InChIKeyMTAZFLFTJYOFMB-UHFFFAOYSA-N
XLogP0.56
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butanoic acid
CID 66113019
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
CID 103570661
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
4-[(1-ethylpyrazol-4-yl)methylsulfonyl]-2-fluoroaniline
CID 81190766
5-chloro-2-[(1-ethylpyrazol-4-yl)methylsulfonyl]aniline
CID 81176090
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine
CID 81188225
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
CID 62125988
1,4-diethylpyrazole;ethane
CID 143641951

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine (CID 81195208) is 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine is CCn1cc(CS(=O)(=O)C(C)CCN)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine?
The InChIKey is MTAZFLFTJYOFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-13-7-10(6-12-13)8-16(14,15)9(2)4-5-11/h6-7,9H,3-5,8,11H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine?
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine has a molecular weight of 245.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine is sourced from PubChem (CID 81195208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).