4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

C16H14BrN5O — CID 122300583

IUPAC4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3ccc(Br)cc3)cn2)n1
InChIInChI=1S/C16H14BrN5O/c1-10-7-11(2)22(21-10)16-18-8-14(9-19-16)20-15(23)12-3-5-13(17)6-4-12/h3-9H,1-2H3,(H,20,23)
InChIKeyOSGMYPZSRGVWIV-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.29
Rot. Bonds3

About 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122300583) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122300583
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3ccc(Br)cc3)cn2)n1
InChIInChI=1S/C16H14BrN5O/c1-10-7-11(2)22(21-10)16-18-8-14(9-19-16)20-15(23)12-3-5-13(17)6-4-12/h3-9H,1-2H3,(H,20,23)
InChIKeyOSGMYPZSRGVWIV-UHFFFAOYSA-N
XLogP3.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
CID 122300522
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxypyridine-4-carboxamide
CID 122300568
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
CID 71789814
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
CID 122300554
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (CID 122300583) is 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is Cc1cc(C)n(-c2ncc(NC(=O)c3ccc(Br)cc3)cn2)n1.
What is the InChIKey of 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is OSGMYPZSRGVWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-10-7-11(2)22(21-10)16-18-8-14(9-19-16)20-15(23)12-3-5-13(17)6-4-12/h3-9H,1-2H3,(H,20,23).
What are the key properties of 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 372.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122300583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).