4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine

C22H20N4O — CID 118987034

IUPAC4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cccc(-c3cccc(N)c3)c2)cc1
InChIInChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26)
InChIKeyNUTSYDYCFJFYDE-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.58
Rot. Bonds4

About 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine

4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 118987034) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID118987034
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cccc(-c3cccc(N)c3)c2)cc1
InChIInChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26)
InChIKeyNUTSYDYCFJFYDE-UHFFFAOYSA-N
XLogP4.58
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine (CID 118987034) is 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2[nH]nc(N)c2-c2cccc(-c3cccc(N)c3)c2)cc1.
What is the InChIKey of 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is NUTSYDYCFJFYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26).
What are the key properties of 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 356.43 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminophenyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 118987034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).