N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C17H29F3N4O — CID 119114796

IUPACN-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCc1nn(C)c(OCC(F)(F)F)c1CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H29F3N4O/c1-11-13(14(24(6)22-11)25-10-17(18,19)20)9-21-12-7-15(2,3)23-16(4,5)8-12/h12,21,23H,7-10H2,1-6H3
InChIKeyZRXWFZXRSIAJCJ-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.07
Rot. Bonds5

About N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 119114796) has the molecular formula C17H29F3N4O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID119114796
Molecular FormulaC17H29F3N4O
Molecular Weight362.44 g/mol
Exact Mass362.23
IUPAC NameN-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCc1nn(C)c(OCC(F)(F)F)c1CNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H29F3N4O/c1-11-13(14(24(6)22-11)25-10-17(18,19)20)9-21-12-7-15(2,3)23-16(4,5)8-12/h12,21,23H,7-10H2,1-6H3
InChIKeyZRXWFZXRSIAJCJ-UHFFFAOYSA-N
XLogP3.07
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 119114796) is N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is Cc1nn(C)c(OCC(F)(F)F)c1CNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is ZRXWFZXRSIAJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F3N4O/c1-11-13(14(24(6)22-11)25-10-17(18,19)20)9-21-12-7-15(2,3)23-16(4,5)8-12/h12,21,23H,7-10H2,1-6H3.
What are the key properties of N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 119114796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).