4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide

C11H13BrFN3O — CID 117486227

IUPAC4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
SMILESBr.COc1c(F)cccc1-c1cnn(C)c1N
InChIInChI=1S/C11H12FN3O.BrH/c1-15-11(13)8(6-14-15)7-4-3-5-9(12)10(7)16-2;/h3-6H,13H2,1-2H3;1H
InChIKeyFZMURBDLLHGWJR-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.39
Rot. Bonds2

About 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide

4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide (PubChem CID 117486227) has the molecular formula C11H13BrFN3O and a molecular weight of 302.15 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
PubChem CID117486227
Molecular FormulaC11H13BrFN3O
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
SMILESBr.COc1c(F)cccc1-c1cnn(C)c1N
InChIInChI=1S/C11H12FN3O.BrH/c1-15-11(13)8(6-14-15)7-4-3-5-9(12)10(7)16-2;/h3-6H,13H2,1-2H3;1H
InChIKeyFZMURBDLLHGWJR-UHFFFAOYSA-N
XLogP2.39
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319241
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide?
The IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide (CID 117486227) is 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide.
What is the SMILES notation for 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide?
The canonical SMILES for 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide is Br.COc1c(F)cccc1-c1cnn(C)c1N.
What is the InChIKey of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide?
The InChIKey is FZMURBDLLHGWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O.BrH/c1-15-11(13)8(6-14-15)7-4-3-5-9(12)10(7)16-2;/h3-6H,13H2,1-2H3;1H.
What are the key properties of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide?
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide has a molecular weight of 302.15 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide is sourced from PubChem (CID 117486227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).