5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

C15H16BrF2N3O2 — CID 19328039

IUPAC5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1cnn(CCCNC(=O)c2cc(Br)ccc2OC(F)F)c1
InChIInChI=1S/C15H16BrF2N3O2/c1-10-8-20-21(9-10)6-2-5-19-14(22)12-7-11(16)3-4-13(12)23-15(17)18/h3-4,7-9,15H,2,5-6H2,1H3,(H,19,22)
InChIKeyUNTAVPUUBORYFJ-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.38
Rot. Bonds7

About 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19328039) has the molecular formula C15H16BrF2N3O2 and a molecular weight of 388.21 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19328039
Molecular FormulaC15H16BrF2N3O2
Molecular Weight388.21 g/mol
Exact Mass387.04
IUPAC Name5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1cnn(CCCNC(=O)c2cc(Br)ccc2OC(F)F)c1
InChIInChI=1S/C15H16BrF2N3O2/c1-10-8-20-21(9-10)6-2-5-19-14(22)12-7-11(16)3-4-13(12)23-15(17)18/h3-4,7-9,15H,2,5-6H2,1H3,(H,19,22)
InChIKeyUNTAVPUUBORYFJ-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-2-methoxybenzamide
CID 2225516
3-fluoro-2-methoxy-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 56748025
5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide
CID 170513368
(2-Methoxyphenyl)-(4-methylpyrazol-1-yl)methanone
CID 1246007
2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 50961096
(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 164642377
2-(Difluoromethoxy)-N-[(1-ethyl-1H-pyrazol-4-YL)methyl]benzamide
CID 4865583
N-[1-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide
CID 56967406
(5-Bromo-2-methoxyphenyl)-[2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidin-1-yl]methanone
CID 67157963
4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
CID 91346842
5-bromo-2-hydroxy-N-{[(3M)-3-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}benzamide
CID 170513370
3-(difluoromethoxy)-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 4865647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (CID 19328039) is 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is Cc1cnn(CCCNC(=O)c2cc(Br)ccc2OC(F)F)c1.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is UNTAVPUUBORYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3O2/c1-10-8-20-21(9-10)6-2-5-19-14(22)12-7-11(16)3-4-13(12)23-15(17)18/h3-4,7-9,15H,2,5-6H2,1H3,(H,19,22).
What are the key properties of 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 388.21 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19328039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).