4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide

C18H16BrN3O2 — CID 38761795

IUPAC4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C18H16BrN3O2/c1-12-3-8-17(24-2)16(9-12)21-18(23)13-4-6-15(7-5-13)22-11-14(19)10-20-22/h3-11H,1-2H3,(H,21,23)
InChIKeyNOLGDRLCGRULFM-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.20
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide

4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 38761795) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID38761795
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C18H16BrN3O2/c1-12-3-8-17(24-2)16(9-12)21-18(23)13-4-6-15(7-5-13)22-11-14(19)10-20-22/h3-11H,1-2H3,(H,21,23)
InChIKeyNOLGDRLCGRULFM-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
CID 55770669
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
N-[4-(4-bromopyrazol-1-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 35275447
1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
CID 50772769
ethyl 5-amino-1-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363406
4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
CID 134025426
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 17410270
N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 35275522
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide (CID 38761795) is 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is NOLGDRLCGRULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-3-8-17(24-2)16(9-12)21-18(23)13-4-6-15(7-5-13)22-11-14(19)10-20-22/h3-11H,1-2H3,(H,21,23).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide?
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 386.25 g/mol, XLogP of 4.20, 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-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 38761795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).