4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide

C17H14BrN3O2 — CID 38761721

IUPAC4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1
InChIInChI=1S/C17H14BrN3O2/c1-23-16-8-4-14(5-9-16)20-17(22)12-2-6-15(7-3-12)21-11-13(18)10-19-21/h2-11H,1H3,(H,20,22)
InChIKeyHQCXBIUWCOBFOH-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.90
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide

4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide (PubChem CID 38761721) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
PubChem CID38761721
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1
InChIInChI=1S/C17H14BrN3O2/c1-23-16-8-4-14(5-9-16)20-17(22)12-2-6-15(7-3-12)21-11-13(18)10-19-21/h2-11H,1H3,(H,20,22)
InChIKeyHQCXBIUWCOBFOH-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 35275522
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46602048
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 4091148
N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 35275447
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide (CID 38761721) is 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is HQCXBIUWCOBFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-23-16-8-4-14(5-9-16)20-17(22)12-2-6-15(7-3-12)21-11-13(18)10-19-21/h2-11H,1H3,(H,20,22).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide?
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 372.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 38761721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).