[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine

C15H20BrN3O — CID 105043065

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
SMILESCOCCn1ncc(Br)c1C(N)c1cccc(C)c1C
InChIInChI=1S/C15H20BrN3O/c1-10-5-4-6-12(11(10)2)14(17)15-13(16)9-18-19(15)7-8-20-3/h4-6,9,14H,7-8,17H2,1-3H3
InChIKeyLJTFCBCAPJAJOB-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.96
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine (PubChem CID 105043065) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
PubChem CID105043065
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
SMILESCOCCn1ncc(Br)c1C(N)c1cccc(C)c1C
InChIInChI=1S/C15H20BrN3O/c1-10-5-4-6-12(11(10)2)14(17)15-13(16)9-18-19(15)7-8-20-3/h4-6,9,14H,7-8,17H2,1-3H3
InChIKeyLJTFCBCAPJAJOB-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-methylphenyl)methanamine
CID 107103101
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methyl]hydrazine
CID 105337265
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methylphenyl)methanamine
CID 105042971
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,6-trimethylphenyl)methanamine
CID 105043004
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanamine
CID 103128221
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxy-3-methylphenyl)methanamine
CID 114659333
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105184289
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812858

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine (CID 105043065) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine is COCCn1ncc(Br)c1C(N)c1cccc(C)c1C.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine?
The InChIKey is LJTFCBCAPJAJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10-5-4-6-12(11(10)2)14(17)15-13(16)9-18-19(15)7-8-20-3/h4-6,9,14H,7-8,17H2,1-3H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine has a molecular weight of 338.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 105043065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).