2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide

C19H17BrFN3O2 — CID 2970557

IUPAC2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H17BrFN3O2/c1-13(26-17-8-4-15(20)5-9-17)19(25)22-18-10-11-24(23-18)12-14-2-6-16(21)7-3-14/h2-11,13H,12H2,1H3,(H,22,23,25)
InChIKeyGBVJJZBHKOYLLM-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide

2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 2970557) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID2970557
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC Name2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H17BrFN3O2/c1-13(26-17-8-4-15(20)5-9-17)19(25)22-18-10-11-24(23-18)12-14-2-6-16(21)7-3-14/h2-11,13H,12H2,1H3,(H,22,23,25)
InChIKeyGBVJJZBHKOYLLM-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 36518284
2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508
2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547798
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19285191
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide (CID 2970557) is 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is GBVJJZBHKOYLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c1-13(26-17-8-4-15(20)5-9-17)19(25)22-18-10-11-24(23-18)12-14-2-6-16(21)7-3-14/h2-11,13H,12H2,1H3,(H,22,23,25).
What are the key properties of 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 418.27 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 2970557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).