2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine

C14H19N3O2 — CID 117123596

IUPAC2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
SMILESCOc1ccccc1-n1nc(C)c(CCN)c1OC
InChIInChI=1S/C14H19N3O2/c1-10-11(8-9-15)14(19-3)17(16-10)12-6-4-5-7-13(12)18-2/h4-7H,8-9,15H2,1-3H3
InChIKeyHKSONISCJCKXKI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds5

About 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine

2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine (PubChem CID 117123596) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
PubChem CID117123596
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
SMILESCOc1ccccc1-n1nc(C)c(CCN)c1OC
InChIInChI=1S/C14H19N3O2/c1-10-11(8-9-15)14(19-3)17(16-10)12-6-4-5-7-13(12)18-2/h4-7H,8-9,15H2,1-3H3
InChIKeyHKSONISCJCKXKI-UHFFFAOYSA-N
XLogP1.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
CID 115056392
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333
[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
CID 117123519
2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63815246
4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
CID 63035065
2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
CID 63802598
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine (CID 117123596) is 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine is COc1ccccc1-n1nc(C)c(CCN)c1OC.
What is the InChIKey of 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
The InChIKey is HKSONISCJCKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-11(8-9-15)14(19-3)17(16-10)12-6-4-5-7-13(12)18-2/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 117123596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).