N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine

C12H19F3N4O2S — CID 162573276

IUPACN,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C)c(C(F)(F)F)nn1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H19F3N4O2S/c1-8-10(12(13,14)15)17-19(11(8)16-2)9-4-6-18(7-5-9)22(3,20)21/h9,16H,4-7H2,1-3H3
InChIKeyQDZCMBLWNSHTCY-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.85
Rot. Bonds3

About N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine

N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 162573276) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID162573276
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC NameN,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C)c(C(F)(F)F)nn1C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H19F3N4O2S/c1-8-10(12(13,14)15)17-19(11(8)16-2)9-4-6-18(7-5-9)22(3,20)21/h9,16H,4-7H2,1-3H3
InChIKeyQDZCMBLWNSHTCY-UHFFFAOYSA-N
XLogP1.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 51104851
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylethanesulfonamide
CID 51105083
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
CID 51105102
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
CID 51105420
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-ethylmethanesulfonamide
CID 53539231
N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 53542538
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 56822597
2-cyclopentyl-N,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 139354629
4-Methyl-2-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 148100267
[1,3-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-yl]methanamine
CID 65534946
[1,3-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-yl]methanamine
CID 65535915

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 162573276) is N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine is CNc1c(C)c(C(F)(F)F)nn1C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is QDZCMBLWNSHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c1-8-10(12(13,14)15)17-19(11(8)16-2)9-4-6-18(7-5-9)22(3,20)21/h9,16H,4-7H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine?
N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 340.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 162573276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).