4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide

C19H17BrFN3O2 — CID 86972854

IUPAC4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)c1nn(-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C19H17BrFN3O2/c20-17-12-24(15-7-5-14(21)6-8-15)23-18(17)19(26)22-11-1-2-13-3-9-16(25)10-4-13/h3-10,12,25H,1-2,11H2,(H,22,26)
InChIKeySYXPQVIBDJFIIP-UHFFFAOYSA-N
MW418.27 g/mol
LogP3.84
Rot. Bonds6

About 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide

4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide (PubChem CID 86972854) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide
PubChem CID86972854
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC Name4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)c1nn(-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C19H17BrFN3O2/c20-17-12-24(15-7-5-14(21)6-8-15)23-18(17)19(26)22-11-1-2-13-3-9-16(25)10-4-13/h3-10,12,25H,1-2,11H2,(H,22,26)
InChIKeySYXPQVIBDJFIIP-UHFFFAOYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 53.84
H-Bond Donors ≤ 52
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-aminobutyl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119498458
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(4-fluorophenyl)propyl]propanamide
CID 100830153
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 42109745
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 119524162
N-(1-amino-4-methylpentan-2-yl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 119587937
4-bromo-N-[[3-(cyanomethoxy)phenyl]methyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 86967828
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
CID 99637033
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide (CID 86972854) is 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide is O=C(NCCCc1ccc(O)cc1)c1nn(-c2ccc(F)cc2)cc1Br.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide?
The InChIKey is SYXPQVIBDJFIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c20-17-12-24(15-7-5-14(21)6-8-15)23-18(17)19(26)22-11-1-2-13-3-9-16(25)10-4-13/h3-10,12,25H,1-2,11H2,(H,22,26).
What are the key properties of 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide?
4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide has a molecular weight of 418.27 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86972854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).