2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide

C15H22ClF3N4O — CID 75453277

IUPAC2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCN(Cc2c(C(F)(F)F)nn(C)c2Cl)CC1
InChIInChI=1S/C15H22ClF3N4O/c1-21(2)12(24)8-10-4-6-23(7-5-10)9-11-13(15(17,18)19)20-22(3)14(11)16/h10H,4-9H2,1-3H3
InChIKeyKSOUVLCABSYTEP-UHFFFAOYSA-N
MW366.82 g/mol
LogP2.78
Rot. Bonds4

About 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide

2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide (PubChem CID 75453277) has the molecular formula C15H22ClF3N4O and a molecular weight of 366.82 g/mol. Its IUPAC name is 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
PubChem CID75453277
Molecular FormulaC15H22ClF3N4O
Molecular Weight366.82 g/mol
Exact Mass366.14
IUPAC Name2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCN(Cc2c(C(F)(F)F)nn(C)c2Cl)CC1
InChIInChI=1S/C15H22ClF3N4O/c1-21(2)12(24)8-10-4-6-23(7-5-10)9-11-13(15(17,18)19)20-22(3)14(11)16/h10H,4-9H2,1-3H3
InChIKeyKSOUVLCABSYTEP-UHFFFAOYSA-N
XLogP2.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide (CID 75453277) is 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CCN(Cc2c(C(F)(F)F)nn(C)c2Cl)CC1.
What is the InChIKey of 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The InChIKey is KSOUVLCABSYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N4O/c1-21(2)12(24)8-10-4-6-23(7-5-10)9-11-13(15(17,18)19)20-22(3)14(11)16/h10H,4-9H2,1-3H3.
What are the key properties of 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide has a molecular weight of 366.82 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 75453277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).