N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

C20H26F2N4O — CID 25282774

IUPACN-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H26F2N4O/c1-20(2,3)19(27)24-18-4-7-23-26(18)17-5-8-25(9-6-17)13-14-10-15(21)12-16(22)11-14/h4,7,10-12,17H,5-6,8-9,13H2,1-3H3,(H,24,27)
InChIKeyIPXKERCCHZYKKR-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.98
Rot. Bonds4

About N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 25282774) has the molecular formula C20H26F2N4O and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID25282774
Molecular FormulaC20H26F2N4O
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC NameN-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H26F2N4O/c1-20(2,3)19(27)24-18-4-7-23-26(18)17-5-8-25(9-6-17)13-14-10-15(21)12-16(22)11-14/h4,7,10-12,17H,5-6,8-9,13H2,1-3H3,(H,24,27)
InChIKeyIPXKERCCHZYKKR-UHFFFAOYSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide 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 N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 25282774) is N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is IPXKERCCHZYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O/c1-20(2,3)19(27)24-18-4-7-23-26(18)17-5-8-25(9-6-17)13-14-10-15(21)12-16(22)11-14/h4,7,10-12,17H,5-6,8-9,13H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 376.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25282774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).