1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine

C13H25N3O2S — CID 105001704

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
SMILESCCc1cc(CC(NC)C(C)S(C)(=O)=O)n(CC)n1
InChIInChI=1S/C13H25N3O2S/c1-6-11-8-12(16(7-2)15-11)9-13(14-4)10(3)19(5,17)18/h8,10,13-14H,6-7,9H2,1-5H3
InChIKeyPBOBCPHVYQCFLR-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.03
Rot. Bonds7

About 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine

1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine (PubChem CID 105001704) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
PubChem CID105001704
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
SMILESCCc1cc(CC(NC)C(C)S(C)(=O)=O)n(CC)n1
InChIInChI=1S/C13H25N3O2S/c1-6-11-8-12(16(7-2)15-11)9-13(14-4)10(3)19(5,17)18/h8,10,13-14H,6-7,9H2,1-5H3
InChIKeyPBOBCPHVYQCFLR-UHFFFAOYSA-N
XLogP1.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 105001567
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
CID 116723522
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
[1-(1,3-diethylpyrazol-5-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222951
1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001665
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine
CID 81188101
1-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-N-methylmethanamine
CID 105449455
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine (CID 105001704) is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine is CCc1cc(CC(NC)C(C)S(C)(=O)=O)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine?
The InChIKey is PBOBCPHVYQCFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-6-11-8-12(16(7-2)15-11)9-13(14-4)10(3)19(5,17)18/h8,10,13-14H,6-7,9H2,1-5H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 105001704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).