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

C17H16BrN5O — CID 122300762

IUPAC3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nn(-c2ncc(NC(=O)c3cccc(Br)c3)cn2)c(C)c1C
InChIInChI=1S/C17H16BrN5O/c1-10-11(2)22-23(12(10)3)17-19-8-15(9-20-17)21-16(24)13-5-4-6-14(18)7-13/h4-9H,1-3H3,(H,21,24)
InChIKeyFGSWJUACQKJUAC-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.60
Rot. Bonds3

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

3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122300762) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122300762
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nn(-c2ncc(NC(=O)c3cccc(Br)c3)cn2)c(C)c1C
InChIInChI=1S/C17H16BrN5O/c1-10-11(2)22-23(12(10)3)17-19-8-15(9-20-17)21-16(24)13-5-4-6-14(18)7-13/h4-9H,1-3H3,(H,21,24)
InChIKeyFGSWJUACQKJUAC-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112535
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide
CID 122300728
4-nitro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300769
3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 122298143
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299943
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
CID 71789831
2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 122300594
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (CID 122300762) is 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is Cc1nn(-c2ncc(NC(=O)c3cccc(Br)c3)cn2)c(C)c1C.
What is the InChIKey of 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is FGSWJUACQKJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-10-11(2)22-23(12(10)3)17-19-8-15(9-20-17)21-16(24)13-5-4-6-14(18)7-13/h4-9H,1-3H3,(H,21,24).
What are the key properties of 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122300762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).