1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide

C23H24BrFN4O — CID 55959425

IUPAC1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H24BrFN4O/c1-16-22(14-26-29(16)21-8-4-18(24)5-9-21)23(30)27-20-10-12-28(13-11-20)15-17-2-6-19(25)7-3-17/h2-9,14,20H,10-13,15H2,1H3,(H,27,30)
InChIKeyXEUSLVCWEZPNFT-UHFFFAOYSA-N
MW471.37 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 55959425) has the molecular formula C23H24BrFN4O and a molecular weight of 471.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
PubChem CID55959425
Molecular FormulaC23H24BrFN4O
Molecular Weight471.37 g/mol
Exact Mass470.11
IUPAC Name1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H24BrFN4O/c1-16-22(14-26-29(16)21-8-4-18(24)5-9-21)23(30)27-20-10-12-28(13-11-20)15-17-2-6-19(25)7-3-17/h2-9,14,20H,10-13,15H2,1H3,(H,27,30)
InChIKeyXEUSLVCWEZPNFT-UHFFFAOYSA-N
XLogP4.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119476425
1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451537
tert-butyl 4-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731132
tert-butyl 4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731094
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119457050
cis-(1R,3S)-3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678653
5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55946015
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 55960708

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide (CID 55959425) is 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is XEUSLVCWEZPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrFN4O/c1-16-22(14-26-29(16)21-8-4-18(24)5-9-21)23(30)27-20-10-12-28(13-11-20)15-17-2-6-19(25)7-3-17/h2-9,14,20H,10-13,15H2,1H3,(H,27,30).
What are the key properties of 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 471.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).