5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine

C23H21N3O2 — CID 59989230

IUPAC5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2ccc(-c3cc(Nc4ccccc4)n[nH]3)cc2)c(OC)c1
InChIInChI=1S/C23H21N3O2/c1-27-19-12-13-20(22(14-19)28-2)16-8-10-17(11-9-16)21-15-23(26-25-21)24-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,24,25,26)
InChIKeyTZCPYMJCGLLGLT-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.50
Rot. Bonds6

About 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine

5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine (PubChem CID 59989230) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine
PubChem CID59989230
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2ccc(-c3cc(Nc4ccccc4)n[nH]3)cc2)c(OC)c1
InChIInChI=1S/C23H21N3O2/c1-27-19-12-13-20(22(14-19)28-2)16-8-10-17(11-9-16)21-15-23(26-25-21)24-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,24,25,26)
InChIKeyTZCPYMJCGLLGLT-UHFFFAOYSA-N
XLogP5.50
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine (CID 59989230) is 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine is COc1ccc(-c2ccc(-c3cc(Nc4ccccc4)n[nH]3)cc2)c(OC)c1.
What is the InChIKey of 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine?
The InChIKey is TZCPYMJCGLLGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-19-12-13-20(22(14-19)28-2)16-8-10-17(11-9-16)21-15-23(26-25-21)24-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,24,25,26).
What are the key properties of 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine?
5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine has a molecular weight of 371.44 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 59989230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).