(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine

C20H19N5O3 — CID 6162232

IUPAC(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine
SMILESO=[N+]([O-])c1ccc(-n2cc(/C=N\N3CCOCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19N5O3/c26-25(27)19-8-6-18(7-9-19)24-15-17(14-21-23-10-12-28-13-11-23)20(22-24)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2/b21-14-
InChIKeyKEKHWNPXYIYURD-STZFKDTASA-N
MW377.40 g/mol
LogP3.11
Rot. Bonds5

About (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine

(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine (PubChem CID 6162232) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine
PubChem CID6162232
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine
SMILESO=[N+]([O-])c1ccc(-n2cc(/C=N\N3CCOCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H19N5O3/c26-25(27)19-8-6-18(7-9-19)24-15-17(14-21-23-10-12-28-13-11-23)20(22-24)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2/b21-14-
InChIKeyKEKHWNPXYIYURD-STZFKDTASA-N
XLogP3.11
TPSA85.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 9216828
(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8973426
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
CID 9216790
(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 6902900
4-hydroxy-3-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-thiazole-2-thione
CID 123614397
1-morpholin-4-yl-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 1290718
2-[(Z)-morpholin-4-yliminomethyl]-4-nitrophenol
CID 135726926
1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]-N-[(3-phenyltriazol-4-yl)methoxy]methanimine
CID 172654174
1-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-phenylurea
CID 2330355
2-amino-1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-(3-nitrophenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 71602917
4-[3-(3-fluorophenyl)-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 171349842
4-(fluoromethyl)-3-(4-nitrophenyl)-1-phenylpyrazole
CID 122229636

Frequently Asked Questions

What is the IUPAC name of (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine?
The IUPAC name of (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine (CID 6162232) is (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine.
What is the SMILES notation for (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine?
The canonical SMILES for (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine is O=[N+]([O-])c1ccc(-n2cc(/C=N\N3CCOCC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine?
The InChIKey is KEKHWNPXYIYURD-STZFKDTASA-N. The full InChI is InChI=1S/C20H19N5O3/c26-25(27)19-8-6-18(7-9-19)24-15-17(14-21-23-10-12-28-13-11-23)20(22-24)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2/b21-14-.
What are the key properties of (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine?
(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine has a molecular weight of 377.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine is sourced from PubChem (CID 6162232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).