3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

C15H12BrN3OS — CID 9247862

IUPAC3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C15H12BrN3OS/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyXSXJBSRNZFXOEU-UHFFFAOYSA-N
MW362.25 g/mol
LogP3.83
Rot. Bonds4

About 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 9247862) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID9247862
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C15H12BrN3OS/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyXSXJBSRNZFXOEU-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

3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956
2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4182040
3-(4-bromophenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide
CID 141406980
N-(1,2-benzoxazol-3-ylmethyl)-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide
CID 167930303
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 9247862) is 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XSXJBSRNZFXOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-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 3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 9247862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).