N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide

C20H22N6O — CID 166594293

IUPACN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC(c3ccc(-n4ccnc4)cc3)NN2)cc1
InChIInChI=1S/C20H22N6O/c1-14(27)22-16-4-6-17(7-5-16)23-20-12-19(24-25-20)15-2-8-18(9-3-15)26-11-10-21-13-26/h2-11,13,19-20,23-25H,12H2,1H3,(H,22,27)
InChIKeyKZPQGVGATRJMND-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.81
Rot. Bonds5

About N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide

N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide (PubChem CID 166594293) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide
PubChem CID166594293
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC(c3ccc(-n4ccnc4)cc3)NN2)cc1
InChIInChI=1S/C20H22N6O/c1-14(27)22-16-4-6-17(7-5-16)23-20-12-19(24-25-20)15-2-8-18(9-3-15)26-11-10-21-13-26/h2-11,13,19-20,23-25H,12H2,1H3,(H,22,27)
InChIKeyKZPQGVGATRJMND-UHFFFAOYSA-N
XLogP2.81
TPSA83.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide (CID 166594293) is N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CC(c3ccc(-n4ccnc4)cc3)NN2)cc1.
What is the InChIKey of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
The InChIKey is KZPQGVGATRJMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14(27)22-16-4-6-17(7-5-16)23-20-12-19(24-25-20)15-2-8-18(9-3-15)26-11-10-21-13-26/h2-11,13,19-20,23-25H,12H2,1H3,(H,22,27).
What are the key properties of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 166594293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).