5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine

C18H19N3O — CID 3718155

IUPAC5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1cc(-c2cc(N)n[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-14-10-15(16-11-18(19)21-20-16)8-9-17(14)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H3,19,20,21)
InChIKeyYIJPRUYMBAWYJH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.80
Rot. Bonds5

About 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine

5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 3718155) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID3718155
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1cc(-c2cc(N)n[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-14-10-15(16-11-18(19)21-20-16)8-9-17(14)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H3,19,20,21)
InChIKeyYIJPRUYMBAWYJH-UHFFFAOYSA-N
XLogP3.80
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine (CID 3718155) is 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine is CCc1cc(-c2cc(N)n[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is YIJPRUYMBAWYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-14-10-15(16-11-18(19)21-20-16)8-9-17(14)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H3,19,20,21).
What are the key properties of 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 293.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-phenylmethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 3718155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).