3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole

C11H10BrFN2O — CID 118618664

IUPAC3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(F)c(Br)n2)cc1
InChIInChI=1S/C11H10BrFN2O/c1-16-9-4-2-8(3-5-9)6-15-7-10(13)11(12)14-15/h2-5,7H,6H2,1H3
InChIKeyFAKSIPHYVGVZNI-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.84
Rot. Bonds3

About 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole

3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 118618664) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID118618664
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(F)c(Br)n2)cc1
InChIInChI=1S/C11H10BrFN2O/c1-16-9-4-2-8(3-5-9)6-15-7-10(13)11(12)14-15/h2-5,7H,6H2,1H3
InChIKeyFAKSIPHYVGVZNI-UHFFFAOYSA-N
XLogP2.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone;1-(5-bromo-1H-pyrazol-4-yl)ethanone
CID 161497882
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675306
2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588706
4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 175634319
1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine
CID 177223164
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
CID 59023809
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
1-[(4-methoxyphenyl)methyl]-4-nitro-3-(trifluoromethyl)pyrazole
CID 118678592

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole (CID 118618664) is 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2cc(F)c(Br)n2)cc1.
What is the InChIKey of 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is FAKSIPHYVGVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-16-9-4-2-8(3-5-9)6-15-7-10(13)11(12)14-15/h2-5,7H,6H2,1H3.
What are the key properties of 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole?
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 285.12 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 118618664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).