1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide

C24H25BrN4O2 — CID 46492518

IUPAC1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H25BrN4O2/c1-16-22(17(2)29(27-16)21-10-8-19(25)9-11-21)24(31)28-14-12-18(13-15-28)23(30)26-20-6-4-3-5-7-20/h3-11,18H,12-15H2,1-2H3,(H,26,30)
InChIKeyPTODSMKIIJZGRE-UHFFFAOYSA-N
MW481.39 g/mol
LogP4.74
Rot. Bonds4

About 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 46492518) has the molecular formula C24H25BrN4O2 and a molecular weight of 481.39 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID46492518
Molecular FormulaC24H25BrN4O2
Molecular Weight481.39 g/mol
Exact Mass480.12
IUPAC Name1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H25BrN4O2/c1-16-22(17(2)29(27-16)21-10-8-19(25)9-11-21)24(31)28-14-12-18(13-15-28)23(30)26-20-6-4-3-5-7-20/h3-11,18H,12-15H2,1-2H3,(H,26,30)
InChIKeyPTODSMKIIJZGRE-UHFFFAOYSA-N
XLogP4.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
[4-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55859697
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
1-[4-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55859690
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542802
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
[1-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 55811317
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 97065528

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 46492518) is 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide is Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is PTODSMKIIJZGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O2/c1-16-22(17(2)29(27-16)21-10-8-19(25)9-11-21)24(31)28-14-12-18(13-15-28)23(30)26-20-6-4-3-5-7-20/h3-11,18H,12-15H2,1-2H3,(H,26,30).
What are the key properties of 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 481.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 46492518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).