N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C19H18BrN3O — CID 94872709

IUPACN-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C19H18BrN3O/c1-13-11-14(2)23(22-13)12-15-3-5-16(6-4-15)19(24)21-18-9-7-17(20)8-10-18/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyRFKPSQIIKXXZER-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.56
Rot. Bonds4

About N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 94872709) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID94872709
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C19H18BrN3O/c1-13-11-14(2)23(22-13)12-15-3-5-16(6-4-15)19(24)21-18-9-7-17(20)8-10-18/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyRFKPSQIIKXXZER-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
CID 48984995
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 94872709) is N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is RFKPSQIIKXXZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-13-11-14(2)23(22-13)12-15-3-5-16(6-4-15)19(24)21-18-9-7-17(20)8-10-18/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 384.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 94872709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).