N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide

C28H36N4O — CID 45209709

IUPACN,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN2CCC(C(Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)cc1
InChIInChI=1S/C28H36N4O/c1-21-10-12-24(13-11-21)20-32-16-14-25(15-17-32)26(19-23-8-6-5-7-9-23)30(3)28(33)27-18-22(2)29-31(27)4/h5-13,18,25-26H,14-17,19-20H2,1-4H3
InChIKeyNGSSZVGRHJFFIJ-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.63
Rot. Bonds7

About N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide

N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide (PubChem CID 45209709) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
PubChem CID45209709
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC NameN,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
SMILESCc1ccc(CN2CCC(C(Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)cc1
InChIInChI=1S/C28H36N4O/c1-21-10-12-24(13-11-21)20-32-16-14-25(15-17-32)26(19-23-8-6-5-7-9-23)30(3)28(33)27-18-22(2)29-31(27)4/h5-13,18,25-26H,14-17,19-20H2,1-4H3
InChIKeyNGSSZVGRHJFFIJ-UHFFFAOYSA-N
XLogP4.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 26274500
N-[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45205013
N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 45228845
N,2,5-trimethyl-N-[(1S)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 42366878
N,2,5-trimethyl-N-[(1S)-1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 26322188
N,2,5-trimethyl-N-[1-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45220738
N-[(1R)-1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42368849
N-[(1S)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42237070
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
N-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42323979
N-[(1S)-1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 26278045
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide (CID 45209709) is N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide is Cc1ccc(CN2CCC(C(Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)cc1.
What is the InChIKey of N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is NGSSZVGRHJFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-21-10-12-24(13-11-21)20-32-16-14-25(15-17-32)26(19-23-8-6-5-7-9-23)30(3)28(33)27-18-22(2)29-31(27)4/h5-13,18,25-26H,14-17,19-20H2,1-4H3.
What are the key properties of N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide?
N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 45209709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).