4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline

C22H21N3O — CID 4053529

IUPAC4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(N)cc2)cc1
InChIInChI=1S/C22H21N3O/c1-26-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-9-18(23)10-12-19/h2-14,22H,15,23H2,1H3
InChIKeyMABUXSYOWQWPPM-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.63
Rot. Bonds4

About 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline

4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline (PubChem CID 4053529) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline
PubChem CID4053529
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(N)cc2)cc1
InChIInChI=1S/C22H21N3O/c1-26-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-9-18(23)10-12-19/h2-14,22H,15,23H2,1H3
InChIKeyMABUXSYOWQWPPM-UHFFFAOYSA-N
XLogP4.63
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 619798
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CID 2950007
5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349865
3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883145
2-[5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4419144
5-(4-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888128
5-(4-Methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 122184691
3-(4-methoxyphenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 349866
2-Propenal, 3,3-bis(4-methoxyphenyl)-, 2,2-diphenylhydrazone
CID 9589457
4,5-Dihydro-(1H)-pyrazole derivative, 2i
CID 11701569
4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
CID 2952426

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline?
The IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline (CID 4053529) is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline is COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline?
The InChIKey is MABUXSYOWQWPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-26-20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-9-18(23)10-12-19/h2-14,22H,15,23H2,1H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline?
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline has a molecular weight of 343.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]aniline is sourced from PubChem (CID 4053529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).