4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol

C20H23N3O — CID 166194510

IUPAC4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C20H23N3O/c1-16(13-17-7-9-20(24)10-8-17)21-14-19-11-12-23(22-19)15-18-5-3-2-4-6-18/h2-12,16,21,24H,13-15H2,1H3
InChIKeyJQZKMOVCWJKKGS-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.36
Rot. Bonds7

About 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol

4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol (PubChem CID 166194510) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol
PubChem CID166194510
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C20H23N3O/c1-16(13-17-7-9-20(24)10-8-17)21-14-19-11-12-23(22-19)15-18-5-3-2-4-6-18/h2-12,16,21,24H,13-15H2,1H3
InChIKeyJQZKMOVCWJKKGS-UHFFFAOYSA-N
XLogP3.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol (CID 166194510) is 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol is CC(Cc1ccc(O)cc1)NCc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol?
The InChIKey is JQZKMOVCWJKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16(13-17-7-9-20(24)10-8-17)21-14-19-11-12-23(22-19)15-18-5-3-2-4-6-18/h2-12,16,21,24H,13-15H2,1H3.
What are the key properties of 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol?
4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol has a molecular weight of 321.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol is sourced from PubChem (CID 166194510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).