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

C13H17N3O — CID 63316415

IUPAC1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1ccc(OCCn2ccc(N)n2)c(C)c1
InChIInChI=1S/C13H17N3O/c1-10-3-4-12(11(2)9-10)17-8-7-16-6-5-13(14)15-16/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyGIDAUKUDWVOVND-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds4

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

1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine (PubChem CID 63316415) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
PubChem CID63316415
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1ccc(OCCn2ccc(N)n2)c(C)c1
InChIInChI=1S/C13H17N3O/c1-10-3-4-12(11(2)9-10)17-8-7-16-6-5-13(14)15-16/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyGIDAUKUDWVOVND-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
CID 19618300
1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316162
1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 64853417
1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 63316422
1-[2-(3,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316031
1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine
CID 104706819
1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
CID 63311157
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 16995013
1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
CID 62159764
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
CID 63316113
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine (CID 63316415) is 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine is Cc1ccc(OCCn2ccc(N)n2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine?
The InChIKey is GIDAUKUDWVOVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-3-4-12(11(2)9-10)17-8-7-16-6-5-13(14)15-16/h3-6,9H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine?
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).