3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C16H16BrN5O — CID 19330938

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cccc(Cn3cc(Br)cn3)c2)n1
InChIInChI=1S/C16H16BrN5O/c1-21-6-5-15(20-21)9-18-16(23)13-4-2-3-12(7-13)10-22-11-14(17)8-19-22/h2-8,11H,9-10H2,1H3,(H,18,23)
InChIKeyQRWFLPMDIJLNME-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.36
Rot. Bonds5

About 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide

3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19330938) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19330938
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cccc(Cn3cc(Br)cn3)c2)n1
InChIInChI=1S/C16H16BrN5O/c1-21-6-5-15(20-21)9-18-16(23)13-4-2-3-12(7-13)10-22-11-14(17)8-19-22/h2-8,11H,9-10H2,1H3,(H,18,23)
InChIKeyQRWFLPMDIJLNME-UHFFFAOYSA-N
XLogP2.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290716
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282362
3-[(4-bromopyrazol-1-yl)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282558
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329189
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346457
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330904
N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide
CID 166264888

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19330938) is 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2cccc(Cn3cc(Br)cn3)c2)n1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is QRWFLPMDIJLNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-21-6-5-15(20-21)9-18-16(23)13-4-2-3-12(7-13)10-22-11-14(17)8-19-22/h2-8,11H,9-10H2,1H3,(H,18,23).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 374.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19330938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).