5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide

C21H21BrCl2N4OS — CID 11504660

IUPAC5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)s1
InChIInChI=1S/C21H21BrCl2N4OS/c1-2-14-19(21(29)26-27-10-4-3-5-11-27)25-28(16-7-6-13(23)12-15(16)24)20(14)17-8-9-18(22)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
InChIKeyVXJZFSDRFQFZOU-UHFFFAOYSA-N
MW528.30 g/mol
LogP6.36
Rot. Bonds5

About 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide

5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 11504660) has the molecular formula C21H21BrCl2N4OS and a molecular weight of 528.30 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID11504660
Molecular FormulaC21H21BrCl2N4OS
Molecular Weight528.30 g/mol
Exact Mass526.00
IUPAC Name5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)s1
InChIInChI=1S/C21H21BrCl2N4OS/c1-2-14-19(21(29)26-27-10-4-3-5-11-27)25-28(16-7-6-13(23)12-15(16)24)20(14)17-8-9-18(22)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
InChIKeyVXJZFSDRFQFZOU-UHFFFAOYSA-N
XLogP6.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.30
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

Surinabant
CID 9849616
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 23624319
TM-38837
CID 49779607
Pyrazole derivative 20
CID 24857045
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfinyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 24863732
5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 10413921
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-N-(1-piperidyl)pyrazole-3-carboxamide
CID 10646233
3-(2,4-dichlorophenyl)-10-methyl-N-piperidin-1-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene-5-carboxamide
CID 11503249
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(pyrrolidin-1-yl)-1H-pyrazole-3-carboxamide
CID 11510814
5-(5-Chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 11583616
N-(azepan-1-yl)-5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 11591162

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 11504660) is 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide is CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is VXJZFSDRFQFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrCl2N4OS/c1-2-14-19(21(29)26-27-10-4-3-5-11-27)25-28(16-7-6-13(23)12-15(16)24)20(14)17-8-9-18(22)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29).
What are the key properties of 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 528.30 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11504660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).