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

C12H15N3O — CID 19618300

IUPAC1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
SMILESCc1ccc(OCn2ccc(N)n2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-9-3-4-11(10(2)7-9)16-8-15-6-5-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyWYDFGUUBBVEVCF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.12
Rot. Bonds3

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

1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine (PubChem CID 19618300) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
PubChem CID19618300
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
SMILESCc1ccc(OCn2ccc(N)n2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-9-3-4-11(10(2)7-9)16-8-15-6-5-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyWYDFGUUBBVEVCF-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine
CID 19618412
1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-amine
CID 7017256
1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine
CID 19618278
1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
CID 62159764
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19275009
1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316162
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 64853417
1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19275127
1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 63316422

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine (CID 19618300) is 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine is Cc1ccc(OCn2ccc(N)n2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine?
The InChIKey is WYDFGUUBBVEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-4-11(10(2)7-9)16-8-15-6-5-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine?
1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 2.12, 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]pyrazol-3-amine is sourced from PubChem (CID 19618300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).