1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

C12H15N3O — CID 105423244

IUPAC1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1cn[nH]c1C(C)N
InChIInChI=1S/C12H15N3O/c1-8(13)12-10(7-14-15-12)9-5-3-4-6-11(9)16-2/h3-8H,13H2,1-2H3,(H,14,15)
InChIKeyYFORBGNFYDYFHN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.11
Rot. Bonds3

About 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 105423244) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID105423244
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1cn[nH]c1C(C)N
InChIInChI=1S/C12H15N3O/c1-8(13)12-10(7-14-15-12)9-5-3-4-6-11(9)16-2/h3-8H,13H2,1-2H3,(H,14,15)
InChIKeyYFORBGNFYDYFHN-UHFFFAOYSA-N
XLogP2.11
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
1-[4-(2-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
CID 105423275
5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
CID 13303418
3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 73335294
4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
1-(7-methoxy-2H-indazol-3-yl)ethanamine
CID 112714941
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
1-(4-methyl-1H-pyrazol-5-yl)ethanamine
CID 82593631
7,8-bis(2-methoxyphenyl)-3H-pyrazolo[5,4-c]cinnoline
CID 90040214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (CID 105423244) is 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is COc1ccccc1-c1cn[nH]c1C(C)N.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is YFORBGNFYDYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(13)12-10(7-14-15-12)9-5-3-4-6-11(9)16-2/h3-8H,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 105423244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).