N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine

C18H24F2N4O2S — CID 154741660

IUPACN-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24F2N4O2S/c1-12-16(11-21-15-6-8-23(9-7-15)27(3,25)26)13(2)24(22-12)18-5-4-14(19)10-17(18)20/h4-5,10,15,21H,6-9,11H2,1-3H3
InChIKeyNUGCUIZIDVWTSR-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.28
Rot. Bonds5

About N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine

N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 154741660) has the molecular formula C18H24F2N4O2S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID154741660
Molecular FormulaC18H24F2N4O2S
Molecular Weight398.48 g/mol
Exact Mass398.16
IUPAC NameN-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24F2N4O2S/c1-12-16(11-21-15-6-8-23(9-7-15)27(3,25)26)13(2)24(22-12)18-5-4-14(19)10-17(18)20/h4-5,10,15,21H,6-9,11H2,1-3H3
InChIKeyNUGCUIZIDVWTSR-UHFFFAOYSA-N
XLogP2.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine (CID 154741660) is N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine is Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is NUGCUIZIDVWTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O2S/c1-12-16(11-21-15-6-8-23(9-7-15)27(3,25)26)13(2)24(22-12)18-5-4-14(19)10-17(18)20/h4-5,10,15,21H,6-9,11H2,1-3H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 398.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 154741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).