2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine

C14H19N3O — CID 82479088

IUPAC2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1cc(C)c(-c2cc(CCN)[nH]n2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-7-14(18-3)10(2)6-12(9)13-8-11(4-5-15)16-17-13/h6-8H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyFSWPFPJDMNWUOH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine

2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 82479088) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID82479088
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1cc(C)c(-c2cc(CCN)[nH]n2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-7-14(18-3)10(2)6-12(9)13-8-11(4-5-15)16-17-13/h6-8H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyFSWPFPJDMNWUOH-UHFFFAOYSA-N
XLogP2.20
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
CID 82484043
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82486872
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 96668220
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
[4-(4-methoxy-2,5-dimethylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82128869
2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine
CID 82478249
5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027
2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine
CID 82484180
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine (CID 82479088) is 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine is COc1cc(C)c(-c2cc(CCN)[nH]n2)cc1C.
What is the InChIKey of 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is FSWPFPJDMNWUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-7-14(18-3)10(2)6-12(9)13-8-11(4-5-15)16-17-13/h6-8H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 82479088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).