N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine

C15H20BrN3O — CID 114646181

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1c(Br)cnn1C
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(15-13(16)10-18-19(15)3)11-7-6-8-12(9-11)20-5-2/h6-10,14,17H,4-5H2,1-3H3
InChIKeyMVUBRCDZSYWUIH-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.28
Rot. Bonds6

About N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine

N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 114646181) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID114646181
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1c(Br)cnn1C
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(15-13(16)10-18-19(15)3)11-7-6-8-12(9-11)20-5-2/h6-10,14,17H,4-5H2,1-3H3
InChIKeyMVUBRCDZSYWUIH-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054020
[(3-ethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105192015
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-iodophenyl)methyl]propan-1-amine
CID 105054033
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105189806
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 105054277
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine
CID 114647272
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine (CID 114646181) is N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)c1c(Br)cnn1C.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is MVUBRCDZSYWUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-17-14(15-13(16)10-18-19(15)3)11-7-6-8-12(9-11)20-5-2/h6-10,14,17H,4-5H2,1-3H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine?
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114646181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).