(4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone

C17H20F3N3O2 — CID 35524645

IUPAC(4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C17H20F3N3O2/c1-11-5-7-22(8-6-11)16(24)14-4-3-13(25-14)10-23-12(2)9-15(21-23)17(18,19)20/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyNRNZUOKHXWYSSM-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.72
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone

(4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone (PubChem CID 35524645) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone
PubChem CID35524645
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name(4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C17H20F3N3O2/c1-11-5-7-22(8-6-11)16(24)14-4-3-13(25-14)10-23-12(2)9-15(21-23)17(18,19)20/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyNRNZUOKHXWYSSM-UHFFFAOYSA-N
XLogP3.72
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918280
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
CID 46968495
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95330872
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
CID 22331944
4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate
CID 5087530
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 20932453
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107
[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 163309144
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
[3-[4-ethyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 46956659
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 91946694
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19467753

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone (CID 35524645) is (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone is Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N2CCC(C)CC2)o1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone?
The InChIKey is NRNZUOKHXWYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-11-5-7-22(8-6-11)16(24)14-4-3-13(25-14)10-23-12(2)9-15(21-23)17(18,19)20/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone?
(4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone has a molecular weight of 355.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone is sourced from PubChem (CID 35524645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).