1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine

C15H20BrN3O — CID 82703238

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(Cc2ccc(OC)c(Br)c2)c(CC)c1N
InChIInChI=1S/C15H20BrN3O/c1-4-12-15(17)13(5-2)19(18-12)9-10-6-7-14(20-3)11(16)8-10/h6-8H,4-5,9,17H2,1-3H3
InChIKeyIEWIGNQXWXWOLX-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.41
Rot. Bonds5

About 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine

1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine (PubChem CID 82703238) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine
PubChem CID82703238
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(Cc2ccc(OC)c(Br)c2)c(CC)c1N
InChIInChI=1S/C15H20BrN3O/c1-4-12-15(17)13(5-2)19(18-12)9-10-6-7-14(20-3)11(16)8-10/h6-8H,4-5,9,17H2,1-3H3
InChIKeyIEWIGNQXWXWOLX-UHFFFAOYSA-N
XLogP3.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazole
CID 82695018
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
CID 103098693
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
2-[(3-bromo-4-methoxyphenyl)methyl]-5-iodopyridazin-3-one
CID 114553704
1-[(3-bromo-4-methoxyphenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784664
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
3-ethyl-5-(4-ethyl-2-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 107663815
4-[(3-bromo-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102745328

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine (CID 82703238) is 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine is CCc1nn(Cc2ccc(OC)c(Br)c2)c(CC)c1N.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine?
The InChIKey is IEWIGNQXWXWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-12-15(17)13(5-2)19(18-12)9-10-6-7-14(20-3)11(16)8-10/h6-8H,4-5,9,17H2,1-3H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine?
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine has a molecular weight of 338.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-amine is sourced from PubChem (CID 82703238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).