(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C15H22F3N3O — CID 2746450

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O/c1-14(2,3)12-9-11(20(4)19-12)13(22)21-7-5-10(6-8-21)15(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeyARYLIKFDNRDGNA-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.13
Rot. Bonds1

About (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 2746450) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID2746450
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3O/c1-14(2,3)12-9-11(20(4)19-12)13(22)21-7-5-10(6-8-21)15(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeyARYLIKFDNRDGNA-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 2746450) is (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ARYLIKFDNRDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-14(2,3)12-9-11(20(4)19-12)13(22)21-7-5-10(6-8-21)15(16,17)18/h9-10H,5-8H2,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 317.36 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 2746450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).