(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one

C20H22N4O — CID 25098413

IUPAC(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one
SMILESCCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2C)cc1
InChIInChI=1S/C20H22N4O/c1-4-23(5-2)17-11-9-16(10-12-17)14-18-15(3)22-24(20(18)25)19-8-6-7-13-21-19/h6-14H,4-5H2,1-3H3/b18-14-
InChIKeyDJAFNHXNDUJWAI-JXAWBTAJSA-N
MW334.42 g/mol
LogP3.73
Rot. Bonds5

About (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one

(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one (PubChem CID 25098413) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one
PubChem CID25098413
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one
SMILESCCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2C)cc1
InChIInChI=1S/C20H22N4O/c1-4-23(5-2)17-11-9-16(10-12-17)14-18-15(3)22-24(20(18)25)19-8-6-7-13-21-19/h6-14H,4-5H2,1-3H3/b18-14-
InChIKeyDJAFNHXNDUJWAI-JXAWBTAJSA-N
XLogP3.73
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one?
The IUPAC name of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one (CID 25098413) is (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one is CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccn3)N=C2C)cc1.
What is the InChIKey of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one?
The InChIKey is DJAFNHXNDUJWAI-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-23(5-2)17-11-9-16(10-12-17)14-18-15(3)22-24(20(18)25)19-8-6-7-13-21-19/h6-14H,4-5H2,1-3H3/b18-14-.
What are the key properties of (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one?
(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one has a molecular weight of 334.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one is sourced from PubChem (CID 25098413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).