(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine

C23H21N5O — CID 21236377

IUPAC(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C23H21N5O/c1-16-13-17(2)26-23(25-16)24-14-19-15-28(20-7-5-4-6-8-20)27-22(19)18-9-11-21(29-3)12-10-18/h4-15H,1-3H3/b24-14+
InChIKeyRNPIHYDVHUHTJO-ZVHZXABRSA-N
MW383.46 g/mol
LogP4.71
Rot. Bonds5

About (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine

(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine (PubChem CID 21236377) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
PubChem CID21236377
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C23H21N5O/c1-16-13-17(2)26-23(25-16)24-14-19-15-28(20-7-5-4-6-8-20)27-22(19)18-9-11-21(29-3)12-10-18/h4-15H,1-3H3/b24-14+
InChIKeyRNPIHYDVHUHTJO-ZVHZXABRSA-N
XLogP4.71
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
CID 23966319
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)methanimine
CID 23856063
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
1-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
CID 6882821
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 4221591
N'-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 3553633
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
The IUPAC name of (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine (CID 21236377) is (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
The canonical SMILES for (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2nc(C)cc(C)n2)cc1.
What is the InChIKey of (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
The InChIKey is RNPIHYDVHUHTJO-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-13-17(2)26-23(25-16)24-14-19-15-28(20-7-5-4-6-8-20)27-22(19)18-9-11-21(29-3)12-10-18/h4-15H,1-3H3/b24-14+.
What are the key properties of (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine has a molecular weight of 383.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine is sourced from PubChem (CID 21236377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).