N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

C14H18BrN3O2 — CID 43729032

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cc(Br)ccc2OC)cn1
InChIInChI=1S/C14H18BrN3O2/c1-19-6-5-18-10-13(9-17-18)16-8-11-7-12(15)3-4-14(11)20-2/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyGALVWBGWUCWJCX-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.91
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43729032) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43729032
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cc(Br)ccc2OC)cn1
InChIInChI=1S/C14H18BrN3O2/c1-19-6-5-18-10-13(9-17-18)16-8-11-7-12(15)3-4-14(11)20-2/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyGALVWBGWUCWJCX-UHFFFAOYSA-N
XLogP2.91
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
4-fluoro-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 103947895
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103650750
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 75384478
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43728868
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine
CID 43728941
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
1-(2-methoxyethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-amine
CID 103347582

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43729032) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NCc2cc(Br)ccc2OC)cn1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is GALVWBGWUCWJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-19-6-5-18-10-13(9-17-18)16-8-11-7-12(15)3-4-14(11)20-2/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 340.22 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43729032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).