N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C16H13BrFN3OS — CID 24609959

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H13BrFN3OS/c17-14-6-5-12(23-14)7-8-19-16(22)13-9-20-21-15(13)10-1-3-11(18)4-2-10/h1-6,9H,7-8H2,(H,19,22)(H,20,21)
InChIKeyAREOBUZJHRCLNM-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 24609959) has the molecular formula C16H13BrFN3OS and a molecular weight of 394.27 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID24609959
Molecular FormulaC16H13BrFN3OS
Molecular Weight394.27 g/mol
Exact Mass392.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H13BrFN3OS/c17-14-6-5-12(23-14)7-8-19-16(22)13-9-20-21-15(13)10-1-3-11(18)4-2-10/h1-6,9H,7-8H2,(H,19,22)(H,20,21)
InChIKeyAREOBUZJHRCLNM-UHFFFAOYSA-N
XLogP4.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 16599700
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940156
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 106047985
5-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86979261
N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 16596863
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599
5-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 31343326
N-[2-(5-bromothiophen-2-yl)ethyl]-2-nitrobenzamide
CID 26082247

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 24609959) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(NCCc1ccc(Br)s1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AREOBUZJHRCLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3OS/c17-14-6-5-12(23-14)7-8-19-16(22)13-9-20-21-15(13)10-1-3-11(18)4-2-10/h1-6,9H,7-8H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 394.27 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24609959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).