N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

C15H12BrN3OS — CID 71824128

IUPACN-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H12BrN3OS/c16-11-5-3-10(4-6-11)8-17-15(20)12-9-18-19-14(12)13-2-1-7-21-13/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyLJLXWYDUGPBTFA-UHFFFAOYSA-N
MW362.25 g/mol
LogP3.83
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 71824128) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
PubChem CID71824128
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC NameN-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H12BrN3OS/c16-11-5-3-10(4-6-11)8-17-15(20)12-9-18-19-14(12)13-2-1-7-21-13/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKeyLJLXWYDUGPBTFA-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
N-[(3,4-dimethoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824137
N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824157
N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824151
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
5-(3-bromophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824478
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 142738671
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide
CID 74244214
5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824185

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (CID 71824128) is N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is O=C(NCc1ccc(Br)cc1)c1cn[nH]c1-c1cccs1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is LJLXWYDUGPBTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-11-5-3-10(4-6-11)8-17-15(20)12-9-18-19-14(12)13-2-1-7-21-13/h1-7,9H,8H2,(H,17,20)(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).