4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C19H18BrN3O — CID 55953897

IUPAC4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H18BrN3O/c1-14-10-17(20)6-7-18(14)19(24)21-12-15-4-2-5-16(11-15)13-23-9-3-8-22-23/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyCXIIEISOGBICHD-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.93
Rot. Bonds5

About 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55953897) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55953897
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H18BrN3O/c1-14-10-17(20)6-7-18(14)19(24)21-12-15-4-2-5-16(11-15)13-23-9-3-8-22-23/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyCXIIEISOGBICHD-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953250
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954134
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55955040
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
2-(3-bromo-2-methylindol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953512
2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 49025395
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56502575
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55953897) is 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is Cc1cc(Br)ccc1C(=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is CXIIEISOGBICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-14-10-17(20)6-7-18(14)19(24)21-12-15-4-2-5-16(11-15)13-23-9-3-8-22-23/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 384.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55953897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).