N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine

C11H21N3O2S — CID 112549539

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCCc1nn(C)cc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-5-11-10(7-14(3)13-11)6-12-9(2)8-17(4,15)16/h7,9,12H,5-6,8H2,1-4H3
InChIKeyZGDOMLBIZJWZLX-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.51
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 112549539) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID112549539
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCCc1nn(C)cc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-5-11-10(7-14(3)13-11)6-12-9(2)8-17(4,15)16/h7,9,12H,5-6,8H2,1-4H3
InChIKeyZGDOMLBIZJWZLX-UHFFFAOYSA-N
XLogP0.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115885755
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115885307
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-pentan-3-ylpropanamide
CID 115886870
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 103914670
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669166

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine (CID 112549539) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine is CCc1nn(C)cc1CNC(C)CS(C)(=O)=O.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is ZGDOMLBIZJWZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-11-10(7-14(3)13-11)6-12-9(2)8-17(4,15)16/h7,9,12H,5-6,8H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 259.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 112549539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).