2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide

C17H25F3N4O2 — CID 26395668

IUPAC2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C17H25F3N4O2/c1-16(2,3)15(26)22-13-5-9-21-24(13)12-6-10-23(11-7-12)14(25)4-8-17(18,19)20/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,22,26)
InChIKeyZWLHCMZWEBAHIY-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.37
Rot. Bonds4

About 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 26395668) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID26395668
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C17H25F3N4O2/c1-16(2,3)15(26)22-13-5-9-21-24(13)12-6-10-23(11-7-12)14(25)4-8-17(18,19)20/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,22,26)
InChIKeyZWLHCMZWEBAHIY-UHFFFAOYSA-N
XLogP3.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide 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

Ici 162846
CID 134778
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681291
N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 40199339
N-(2-cyclohexylpyrazol-3-yl)propanamide
CID 40199343
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
N-(1-methylpyrazol-3-yl)-2-oxo-2-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]acetamide
CID 96416753
(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 97258233
N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide
CID 97307869
(2S)-2-amino-N-(2-cyclohexylpyrazol-3-yl)propanamide
CID 97789747

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide (CID 26395668) is 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is ZWLHCMZWEBAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-16(2,3)15(26)22-13-5-9-21-24(13)12-6-10-23(11-7-12)14(25)4-8-17(18,19)20/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,22,26).
What are the key properties of 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 374.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 26395668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).