2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

C14H15Br2N3O — CID 114372171

IUPAC2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2N3O/c1-9-10(8-18-19-9)3-2-6-17-14(20)12-7-11(15)4-5-13(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyDMTAKJRFLUVINK-UHFFFAOYSA-N
MW401.10 g/mol
LogP3.61
Rot. Bonds5

About 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 114372171) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID114372171
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H15Br2N3O/c1-9-10(8-18-19-9)3-2-6-17-14(20)12-7-11(15)4-5-13(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyDMTAKJRFLUVINK-UHFFFAOYSA-N
XLogP3.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
5-amino-2-bromo-4-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62815798
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
5-bromo-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896855
2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 114922479
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 114372171) is 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is Cc1[nH]ncc1CCCNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is DMTAKJRFLUVINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-9-10(8-18-19-9)3-2-6-17-14(20)12-7-11(15)4-5-13(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 401.10 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 114372171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).