[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C17H20BrN3O — CID 24672014

IUPAC[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1
InChIInChI=1S/C17H20BrN3O/c1-11-7-12(2)10-21(9-11)17(22)16-8-15(19-20-16)13-3-5-14(18)6-4-13/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyVNERLDRKLJEBSX-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.96
Rot. Bonds2

About [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 24672014) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID24672014
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1
InChIInChI=1S/C17H20BrN3O/c1-11-7-12(2)10-21(9-11)17(22)16-8-15(19-20-16)13-3-5-14(18)6-4-13/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyVNERLDRKLJEBSX-UHFFFAOYSA-N
XLogP3.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
1-[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867230
N-[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]-2-methoxyacetamide
CID 166221532
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 99779521
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 91653266
1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250701
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86906204
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 39557320
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 20918077

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 24672014) is [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1.
What is the InChIKey of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is VNERLDRKLJEBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-7-12(2)10-21(9-11)17(22)16-8-15(19-20-16)13-3-5-14(18)6-4-13/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 362.27 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 24672014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).