4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide

C14H15BrN4O2 — CID 4865187

IUPAC4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide
SMILESCC(Cn1cc(Br)cn1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H15BrN4O2/c1-9(7-19-8-11(15)6-17-19)14(21)18-12-4-2-10(3-5-12)13(16)20/h2-6,8-9H,7H2,1H3,(H2,16,20)(H,18,21)
InChIKeyTXHQIFUNKXLMCX-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.02
Rot. Bonds5

About 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide

4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide (PubChem CID 4865187) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide
PubChem CID4865187
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide
SMILESCC(Cn1cc(Br)cn1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H15BrN4O2/c1-9(7-19-8-11(15)6-17-19)14(21)18-12-4-2-10(3-5-12)13(16)20/h2-6,8-9H,7H2,1H3,(H2,16,20)(H,18,21)
InChIKeyTXHQIFUNKXLMCX-UHFFFAOYSA-N
XLogP2.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide (CID 4865187) is 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide is CC(Cn1cc(Br)cn1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide?
The InChIKey is TXHQIFUNKXLMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-9(7-19-8-11(15)6-17-19)14(21)18-12-4-2-10(3-5-12)13(16)20/h2-6,8-9H,7H2,1H3,(H2,16,20)(H,18,21).
What are the key properties of 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide?
4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide has a molecular weight of 351.20 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]benzamide is sourced from PubChem (CID 4865187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).