5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide

C17H23F3N4O3 — CID 138046585

IUPAC5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC2CN(C(=O)C=C(C)C)CCC2C(F)(F)F)nn1C
InChIInChI=1S/C17H23F3N4O3/c1-10(2)7-14(25)24-6-5-11(17(18,19)20)13(9-24)21-16(26)12-8-15(27-4)23(3)22-12/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,26)
InChIKeyFQUSRBLZKCZHCA-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.90
Rot. Bonds4

About 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide

5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 138046585) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID138046585
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC Name5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NC2CN(C(=O)C=C(C)C)CCC2C(F)(F)F)nn1C
InChIInChI=1S/C17H23F3N4O3/c1-10(2)7-14(25)24-6-5-11(17(18,19)20)13(9-24)21-16(26)12-8-15(27-4)23(3)22-12/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,26)
InChIKeyFQUSRBLZKCZHCA-UHFFFAOYSA-N
XLogP1.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide (CID 138046585) is 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide is COc1cc(C(=O)NC2CN(C(=O)C=C(C)C)CCC2C(F)(F)F)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is FQUSRBLZKCZHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-10(2)7-14(25)24-6-5-11(17(18,19)20)13(9-24)21-16(26)12-8-15(27-4)23(3)22-12/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,26).
What are the key properties of 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide?
5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[1-(3-methylbut-2-enoyl)-4-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 138046585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).