3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

C24H23N3O — CID 11199504

IUPAC3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCC(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C24H23N3O/c25-15-14-24(19-8-6-18(7-9-19)21-16-26-27-17-21)20-10-12-23(13-11-20)28-22-4-2-1-3-5-22/h1-13,16-17,24H,14-15,25H2,(H,26,27)
InChIKeySAJGJQMGFRPHDO-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.35
Rot. Bonds7

About 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 11199504) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID11199504
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCC(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C24H23N3O/c25-15-14-24(19-8-6-18(7-9-19)21-16-26-27-17-21)20-10-12-23(13-11-20)28-22-4-2-1-3-5-22/h1-13,16-17,24H,14-15,25H2,(H,26,27)
InChIKeySAJGJQMGFRPHDO-UHFFFAOYSA-N
XLogP5.35
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 11199504) is 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is NCCC(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is SAJGJQMGFRPHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c25-15-14-24(19-8-6-18(7-9-19)21-16-26-27-17-21)20-10-12-23(13-11-20)28-22-4-2-1-3-5-22/h1-13,16-17,24H,14-15,25H2,(H,26,27).
What are the key properties of 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 369.47 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 11199504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).