4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C18H22BrN5O2 — CID 55764236

IUPAC4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2-n2cc(Br)cn2)CC1
InChIInChI=1S/C18H22BrN5O2/c1-22(2)18(26)23-9-7-13(8-10-23)17(25)21-15-5-3-4-6-16(15)24-12-14(19)11-20-24/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyYPRVYMBUGIHBLU-UHFFFAOYSA-N
MW420.31 g/mol
LogP2.97
Rot. Bonds3

About 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55764236) has the molecular formula C18H22BrN5O2 and a molecular weight of 420.31 g/mol. Its IUPAC name is 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55764236
Molecular FormulaC18H22BrN5O2
Molecular Weight420.31 g/mol
Exact Mass419.10
IUPAC Name4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2-n2cc(Br)cn2)CC1
InChIInChI=1S/C18H22BrN5O2/c1-22(2)18(26)23-9-7-13(8-10-23)17(25)21-15-5-3-4-6-16(15)24-12-14(19)11-20-24/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyYPRVYMBUGIHBLU-UHFFFAOYSA-N
XLogP2.97
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 119206700
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119422188
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55777756
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51118797
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 154836216
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
4-N-(3-ethyl-1-methylpyrazol-4-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 154781611
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55764236) is 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)Nc2ccccc2-n2cc(Br)cn2)CC1.
What is the InChIKey of 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is YPRVYMBUGIHBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O2/c1-22(2)18(26)23-9-7-13(8-10-23)17(25)21-15-5-3-4-6-16(15)24-12-14(19)11-20-24/h3-6,11-13H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 420.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55764236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).