1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine

C13H17N3O — CID 19618412

IUPAC1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine
SMILESCc1ccc(OCn2nc(N)cc2C)c(C)c1
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(10(2)6-9)17-8-16-11(3)7-13(14)15-16/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyVGNYDVJUCQVIIE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.43
Rot. Bonds3

About 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine

1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine (PubChem CID 19618412) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine
PubChem CID19618412
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine
SMILESCc1ccc(OCn2nc(N)cc2C)c(C)c1
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(10(2)6-9)17-8-16-11(3)7-13(14)15-16/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyVGNYDVJUCQVIIE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine
CID 19618420
1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
CID 19618300
1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-amine
CID 7017256
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820091
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine (CID 19618412) is 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine is Cc1ccc(OCn2nc(N)cc2C)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine?
The InChIKey is VGNYDVJUCQVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-12(10(2)6-9)17-8-16-11(3)7-13(14)15-16/h4-7H,8H2,1-3H3,(H2,14,15).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine?
1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19618412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).