1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

C12H23N3O2S — CID 65097691

IUPAC1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCCn1nc(C)c(CNC)c1C
InChIInChI=1S/C12H23N3O2S/c1-5-18(16,17)8-6-7-15-11(3)12(9-13-4)10(2)14-15/h13H,5-9H2,1-4H3
InChIKeyUUDBJPMACLINRY-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.04
Rot. Bonds7

About 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 65097691) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID65097691
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCCn1nc(C)c(CNC)c1C
InChIInChI=1S/C12H23N3O2S/c1-5-18(16,17)8-6-7-15-11(3)12(9-13-4)10(2)14-15/h13H,5-9H2,1-4H3
InChIKeyUUDBJPMACLINRY-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65097356
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
2-[1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294812
N-[2-[1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79225448
1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647632
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
N-[[1-(3-fluoropropyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 81113432
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43647654
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707
1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 61490781
1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 43807968

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 65097691) is 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is CCS(=O)(=O)CCCn1nc(C)c(CNC)c1C.
What is the InChIKey of 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is UUDBJPMACLINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-5-18(16,17)8-6-7-15-11(3)12(9-13-4)10(2)14-15/h13H,5-9H2,1-4H3.
What are the key properties of 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65097691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).