4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide

C17H16BrN5O — CID 46602048

IUPAC4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cn1
InChIInChI=1S/C17H16BrN5O/c1-22(2)16-8-5-14(10-19-16)21-17(24)12-3-6-15(7-4-12)23-11-13(18)9-20-23/h3-11H,1-2H3,(H,21,24)
InChIKeyQKYXCPYMCTWQTQ-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.35
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide

4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide (PubChem CID 46602048) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
PubChem CID46602048
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cn1
InChIInChI=1S/C17H16BrN5O/c1-22(2)16-8-5-14(10-19-16)21-17(24)12-3-6-15(7-4-12)23-11-13(18)9-20-23/h3-11H,1-2H3,(H,21,24)
InChIKeyQKYXCPYMCTWQTQ-UHFFFAOYSA-N
XLogP3.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
S-[2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579674
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971223
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942
4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
CID 60954660
N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide (CID 46602048) is 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide is CN(C)c1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
The InChIKey is QKYXCPYMCTWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-22(2)16-8-5-14(10-19-16)21-17(24)12-3-6-15(7-4-12)23-11-13(18)9-20-23/h3-11H,1-2H3,(H,21,24).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 46602048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).