4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide

C22H24N4O2 — CID 4749633

IUPAC4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide
SMILESC=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C22H24N4O2/c1-14-6-11-19(12-15(14)2)26-22(28)20(16(3)24-26)13-23-18-9-7-17(8-10-18)21(27)25(4)5/h6-13,23-24H,3H2,1-2,4-5H3
InChIKeyZKFASLACYISBRM-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.74
Rot. Bonds4

About 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide

4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide (PubChem CID 4749633) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide
PubChem CID4749633
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide
SMILESC=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C22H24N4O2/c1-14-6-11-19(12-15(14)2)26-22(28)20(16(3)24-26)13-23-18-9-7-17(8-10-18)21(27)25(4)5/h6-13,23-24H,3H2,1-2,4-5H3
InChIKeyZKFASLACYISBRM-UHFFFAOYSA-N
XLogP1.74
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide (CID 4749633) is 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide is C=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1=CNc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide?
The InChIKey is ZKFASLACYISBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-6-11-19(12-15(14)2)26-22(28)20(16(3)24-26)13-23-18-9-7-17(8-10-18)21(27)25(4)5/h6-13,23-24H,3H2,1-2,4-5H3.
What are the key properties of 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide?
4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dimethylphenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 4749633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).