5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine

C13H17N3O — CID 82474889

IUPAC5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
SMILESCCOc1ccc(-c2cc(N)nn2C)cc1C
InChIInChI=1S/C13H17N3O/c1-4-17-12-6-5-10(7-9(12)2)11-8-13(14)15-16(11)3/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyWISYHZMBPHSALX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.38
Rot. Bonds3

About 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine

5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine (PubChem CID 82474889) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
PubChem CID82474889
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
SMILESCCOc1ccc(-c2cc(N)nn2C)cc1C
InChIInChI=1S/C13H17N3O/c1-4-17-12-6-5-10(7-9(12)2)11-8-13(14)15-16(11)3/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyWISYHZMBPHSALX-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 98019091
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
[5-(4-methoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159588
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carbonitrile
CID 39247018
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248
1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
CID 117217148
5-[5-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethoxyaniline
CID 84761570
2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 82295142
2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine (CID 82474889) is 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine is CCOc1ccc(-c2cc(N)nn2C)cc1C.
What is the InChIKey of 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine?
The InChIKey is WISYHZMBPHSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-17-12-6-5-10(7-9(12)2)11-8-13(14)15-16(11)3/h5-8H,4H2,1-3H3,(H2,14,15).
What are the key properties of 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine?
5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 82474889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).