4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole

C10H8BrFN2O — CID 22031781

IUPAC4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2Br)c(F)c1
InChIInChI=1S/C10H8BrFN2O/c1-15-6-2-3-7(9(12)4-6)10-8(11)5-13-14-10/h2-5H,1H3,(H,13,14)
InChIKeyGHOFCCODPWRXIC-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.99
Rot. Bonds2

About 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole

4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole (PubChem CID 22031781) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole
PubChem CID22031781
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2Br)c(F)c1
InChIInChI=1S/C10H8BrFN2O/c1-15-6-2-3-7(9(12)4-6)10-8(11)5-13-14-10/h2-5H,1H3,(H,13,14)
InChIKeyGHOFCCODPWRXIC-UHFFFAOYSA-N
XLogP2.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
3,4-bis(4-methoxyphenyl)-1H-pyrazole
CID 3835198
(E)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512238
(Z)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369033
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole (CID 22031781) is 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2[nH]ncc2Br)c(F)c1.
What is the InChIKey of 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole?
The InChIKey is GHOFCCODPWRXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-15-6-2-3-7(9(12)4-6)10-8(11)5-13-14-10/h2-5H,1H3,(H,13,14).
What are the key properties of 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole?
4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole has a molecular weight of 271.09 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 22031781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).