4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

C20H22N4O — CID 545076

IUPAC4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H22N4O/c1-15-19(21-14-16-10-12-17(13-11-16)22(2)3)20(25)24(23(15)4)18-8-6-5-7-9-18/h5-14H,1-4H3/b21-14+
InChIKeyMIOPZSFSXPQPAW-KGENOOAVSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 545076) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID545076
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H22N4O/c1-15-19(21-14-16-10-12-17(13-11-16)22(2)3)20(25)24(23(15)4)18-8-6-5-7-9-18/h5-14H,1-4H3/b21-14+
InChIKeyMIOPZSFSXPQPAW-KGENOOAVSA-N
XLogP3.30
TPSA42.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 545076) is 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is MIOPZSFSXPQPAW-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-19(21-14-16-10-12-17(13-11-16)22(2)3)20(25)24(23(15)4)18-8-6-5-7-9-18/h5-14H,1-4H3/b21-14+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 334.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 545076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).