4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide

C14H12BrN5O — CID 32609396

IUPAC4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cn1
InChIInChI=1S/C14H12BrN5O/c1-19-9-12(7-16-19)18-14(21)10-2-4-13(5-3-10)20-8-11(15)6-17-20/h2-9H,1H3,(H,18,21)
InChIKeyUZBSWOIXSWQCKJ-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.62
Rot. Bonds3

About 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide

4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 32609396) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID32609396
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cn1
InChIInChI=1S/C14H12BrN5O/c1-19-9-12(7-16-19)18-14(21)10-2-4-13(5-3-10)20-8-11(15)6-17-20/h2-9H,1H3,(H,18,21)
InChIKeyUZBSWOIXSWQCKJ-UHFFFAOYSA-N
XLogP2.62
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.62
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-methylbenzamide
CID 47027650
4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
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4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
CID 32604546
4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46438099
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
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide (CID 32609396) is 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is UZBSWOIXSWQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-19-9-12(7-16-19)18-14(21)10-2-4-13(5-3-10)20-8-11(15)6-17-20/h2-9H,1H3,(H,18,21).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide?
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 346.19 g/mol, XLogP of 2.62, 3 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-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 32609396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).