[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

C25H35N3O2 — CID 78899968

IUPAC[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-17(2)15-18-7-9-19(10-8-18)23(29)20-11-13-28(14-12-20)24(30)21-16-22(25(3,4)5)26-27(21)6/h7-10,16-17,20H,11-15H2,1-6H3
InChIKeyXUSOBXUCYKQJFD-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.65
Rot. Bonds5

About [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 78899968) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID78899968
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1
InChIInChI=1S/C25H35N3O2/c1-17(2)15-18-7-9-19(10-8-18)23(29)20-11-13-28(14-12-20)24(30)21-16-22(25(3,4)5)26-27(21)6/h7-10,16-17,20H,11-15H2,1-6H3
InChIKeyXUSOBXUCYKQJFD-UHFFFAOYSA-N
XLogP4.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354004
[1-(3-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707739
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707770
(3-tert-butyl-1-methylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 86863782
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 120623759
ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
[1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55841224
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]methanone
CID 124609434

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (CID 78899968) is [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1.
What is the InChIKey of [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is XUSOBXUCYKQJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-17(2)15-18-7-9-19(10-8-18)23(29)20-11-13-28(14-12-20)24(30)21-16-22(25(3,4)5)26-27(21)6/h7-10,16-17,20H,11-15H2,1-6H3.
What are the key properties of [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 409.57 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 78899968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).