1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine

C23H21N3O — CID 67926268

IUPAC1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine
SMILESCOc1ccc(N2CC=C(c3ccc(/C=N/c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C23H21N3O/c1-27-22-13-11-21(12-14-22)26-16-15-23(25-26)19-9-7-18(8-10-19)17-24-20-5-3-2-4-6-20/h2-15,17,25H,16H2,1H3/b24-17+
InChIKeyMHKBFUJNDPCMDU-JJIBRWJFSA-N
MW355.44 g/mol
LogP4.81
Rot. Bonds5

About 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine

1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine (PubChem CID 67926268) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine
PubChem CID67926268
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine
SMILESCOc1ccc(N2CC=C(c3ccc(/C=N/c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C23H21N3O/c1-27-22-13-11-21(12-14-22)26-16-15-23(25-26)19-9-7-18(8-10-19)17-24-20-5-3-2-4-6-20/h2-15,17,25H,16H2,1H3/b24-17+
InChIKeyMHKBFUJNDPCMDU-JJIBRWJFSA-N
XLogP4.81
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine (CID 67926268) is 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine is COc1ccc(N2CC=C(c3ccc(/C=N/c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine?
The InChIKey is MHKBFUJNDPCMDU-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H21N3O/c1-27-22-13-11-21(12-14-22)26-16-15-23(25-26)19-9-7-18(8-10-19)17-24-20-5-3-2-4-6-20/h2-15,17,25H,16H2,1H3/b24-17+.
What are the key properties of 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine?
1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine has a molecular weight of 355.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 67926268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).