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

C16H15N3O — CID 3707491

IUPAC5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(OCc3ccccc3)cc2)[nH]n1
InChIInChI=1S/C16H15N3O/c17-16-10-15(18-19-16)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18,19)
InChIKeyRJBNUKXFRHMKFG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.24
Rot. Bonds4

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

5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 3707491) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID3707491
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(OCc3ccccc3)cc2)[nH]n1
InChIInChI=1S/C16H15N3O/c17-16-10-15(18-19-16)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18,19)
InChIKeyRJBNUKXFRHMKFG-UHFFFAOYSA-N
XLogP3.24
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine (CID 3707491) is 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(OCc3ccccc3)cc2)[nH]n1.
What is the InChIKey of 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is RJBNUKXFRHMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16-10-15(18-19-16)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H3,17,18,19).
What are the key properties of 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine?
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 265.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 3707491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).