[2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol

C19H21BrFN3O — CID 167387788

IUPAC[2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol
SMILESCCc1nn(C)c(Cc2cc(C)cn2-c2ccc(F)cc2CO)c1Br
InChIInChI=1S/C19H21BrFN3O/c1-4-16-19(20)18(23(3)22-16)9-15-7-12(2)10-24(15)17-6-5-14(21)8-13(17)11-25/h5-8,10,25H,4,9,11H2,1-3H3
InChIKeyBIYFVZMCIHJWPZ-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.07
Rot. Bonds5

About [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol

[2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol (PubChem CID 167387788) has the molecular formula C19H21BrFN3O and a molecular weight of 406.30 g/mol. Its IUPAC name is [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol
PubChem CID167387788
Molecular FormulaC19H21BrFN3O
Molecular Weight406.30 g/mol
Exact Mass405.09
IUPAC Name[2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol
SMILESCCc1nn(C)c(Cc2cc(C)cn2-c2ccc(F)cc2CO)c1Br
InChIInChI=1S/C19H21BrFN3O/c1-4-16-19(20)18(23(3)22-16)9-15-7-12(2)10-24(15)17-6-5-14(21)8-13(17)11-25/h5-8,10,25H,4,9,11H2,1-3H3
InChIKeyBIYFVZMCIHJWPZ-UHFFFAOYSA-N
XLogP4.07
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 73293373
(3-(4-Bromophenyl)-1-(2-methylphenyl)-1H-pyrazol-4-YL)methanol
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(1-(2-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
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CID 15605227
3-[5-(4-Fluorophenyl)-2-methyl-4-pyridin-4-ylpyrazol-3-yl]-1-phenylpropan-1-ol
CID 21992397
(3-Fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol
CID 22574551
(5-Fluoro-2-pyrazol-1-ylphenyl)methanol
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CID 43506234
[5-Fluoro-2-(3-methylpyrazol-1-yl)phenyl]methanol
CID 62487970
1-[5-Fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 62488122

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol?
The IUPAC name of [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol (CID 167387788) is [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol is CCc1nn(C)c(Cc2cc(C)cn2-c2ccc(F)cc2CO)c1Br.
What is the InChIKey of [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol?
The InChIKey is BIYFVZMCIHJWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O/c1-4-16-19(20)18(23(3)22-16)9-15-7-12(2)10-24(15)17-6-5-14(21)8-13(17)11-25/h5-8,10,25H,4,9,11H2,1-3H3.
What are the key properties of [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol?
[2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol has a molecular weight of 406.30 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpyrrol-1-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 167387788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).