1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine

C15H29N3O2S — CID 106730624

IUPAC1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine
SMILESCCCS(=O)(=O)CCn1nc(CC)c(C(N)CC)c1CC
InChIInChI=1S/C15H29N3O2S/c1-5-10-21(19,20)11-9-18-14(8-4)15(12(16)6-2)13(7-3)17-18/h12H,5-11,16H2,1-4H3
InChIKeyNVCIGTKLZLLXFP-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.24
Rot. Bonds9

About 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine

1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine (PubChem CID 106730624) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine
PubChem CID106730624
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine
SMILESCCCS(=O)(=O)CCn1nc(CC)c(C(N)CC)c1CC
InChIInChI=1S/C15H29N3O2S/c1-5-10-21(19,20)11-9-18-14(8-4)15(12(16)6-2)13(7-3)17-18/h12H,5-11,16H2,1-4H3
InChIKeyNVCIGTKLZLLXFP-UHFFFAOYSA-N
XLogP2.24
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-amine
CID 103037060
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 106730619
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 79224877
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-[3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82697031
1-butyl-4-(1-chloroethyl)-3,5-diethylpyrazole
CID 82699491
1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720925
3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
CID 82702521
3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide
CID 106735879
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
1-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697018

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine (CID 106730624) is 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine is CCCS(=O)(=O)CCn1nc(CC)c(C(N)CC)c1CC.
What is the InChIKey of 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine?
The InChIKey is NVCIGTKLZLLXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-5-10-21(19,20)11-9-18-14(8-4)15(12(16)6-2)13(7-3)17-18/h12H,5-11,16H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine?
1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine has a molecular weight of 315.48 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 106730624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).