1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

C17H16BrN3OS — CID 55859706

IUPAC1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccsc1
InChIInChI=1S/C17H16BrN3OS/c1-11-16(17(22)19-9-13-7-8-23-10-13)12(2)21(20-11)15-5-3-14(18)4-6-15/h3-8,10H,9H2,1-2H3,(H,19,22)
InChIKeyMZHRHVPHBLKZBU-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 55859706) has the molecular formula C17H16BrN3OS and a molecular weight of 390.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID55859706
Molecular FormulaC17H16BrN3OS
Molecular Weight390.31 g/mol
Exact Mass389.02
IUPAC Name1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccsc1
InChIInChI=1S/C17H16BrN3OS/c1-11-16(17(22)19-9-13-7-8-23-10-13)12(2)21(20-11)15-5-3-14(18)4-6-15/h3-8,10H,9H2,1-2H3,(H,19,22)
InChIKeyMZHRHVPHBLKZBU-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)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-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46593202
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
N-(2-anilino-3-methylbutyl)-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55859564
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 24712291
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18284701
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
N-[benzyl(methyl)sulfamoyl]-1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 112839290
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19333164
3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55858680
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (CID 55859706) is 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccsc1.
What is the InChIKey of 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is MZHRHVPHBLKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3OS/c1-11-16(17(22)19-9-13-7-8-23-10-13)12(2)21(20-11)15-5-3-14(18)4-6-15/h3-8,10H,9H2,1-2H3,(H,19,22).
What are the key properties of 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 390.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3,5-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55859706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).