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

C13H17N3O — CID 82071880

IUPAC2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCOc1ccc(-c2cc(CCN)nn2C)cc1
InChIInChI=1S/C13H17N3O/c1-16-13(9-11(15-16)7-8-14)10-3-5-12(17-2)6-4-10/h3-6,9H,7-8,14H2,1-2H3
InChIKeyXBDQPWMGKDTLEN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.60
Rot. Bonds4

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

2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine (PubChem CID 82071880) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
PubChem CID82071880
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCOc1ccc(-c2cc(CCN)nn2C)cc1
InChIInChI=1S/C13H17N3O/c1-16-13(9-11(15-16)7-8-14)10-3-5-12(17-2)6-4-10/h3-6,9H,7-8,14H2,1-2H3
InChIKeyXBDQPWMGKDTLEN-UHFFFAOYSA-N
XLogP1.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159155
3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
CID 135066490
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82479288
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
2-[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]ethanamine
CID 82478930
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine (CID 82071880) is 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine is COc1ccc(-c2cc(CCN)nn2C)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
The InChIKey is XBDQPWMGKDTLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-13(9-11(15-16)7-8-14)10-3-5-12(17-2)6-4-10/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine?
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82071880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).