(3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone

C17H24F3N3O2 — CID 170373903

IUPAC(3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESCn1nc(CC2CCN(C(=O)C3CC(C)(O)C3)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-16(25)9-12(10-16)15(24)23-5-3-11(4-6-23)7-13-8-14(17(18,19)20)22(2)21-13/h8,11-12,25H,3-7,9-10H2,1-2H3
InChIKeyRGHZZZABKKJGRA-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.38
Rot. Bonds3

About (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 170373903) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID170373903
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESCn1nc(CC2CCN(C(=O)C3CC(C)(O)C3)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H24F3N3O2/c1-16(25)9-12(10-16)15(24)23-5-3-11(4-6-23)7-13-8-14(17(18,19)20)22(2)21-13/h8,11-12,25H,3-7,9-10H2,1-2H3
InChIKeyRGHZZZABKKJGRA-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone (CID 170373903) is (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone is Cn1nc(CC2CCN(C(=O)C3CC(C)(O)C3)CC2)cc1C(F)(F)F.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is RGHZZZABKKJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-16(25)9-12(10-16)15(24)23-5-3-11(4-6-23)7-13-8-14(17(18,19)20)22(2)21-13/h8,11-12,25H,3-7,9-10H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 359.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 170373903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).