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

C21H24N6O — CID 166594276

IUPACN-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C)c1
InChIInChI=1S/C21H24N6O/c1-14-12-17(23-15(2)28)6-9-19(14)24-21-13-20(25-26-21)16-4-7-18(8-5-16)27-11-3-10-22-27/h3-12,20-21,24-26H,13H2,1-2H3,(H,23,28)
InChIKeyZMHSRSKCZGWEHS-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.12
Rot. Bonds5

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

N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide (PubChem CID 166594276) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide
PubChem CID166594276
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C)c1
InChIInChI=1S/C21H24N6O/c1-14-12-17(23-15(2)28)6-9-19(14)24-21-13-20(25-26-21)16-4-7-18(8-5-16)27-11-3-10-22-27/h3-12,20-21,24-26H,13H2,1-2H3,(H,23,28)
InChIKeyZMHSRSKCZGWEHS-UHFFFAOYSA-N
XLogP3.12
TPSA83.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide (CID 166594276) is N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
The InChIKey is ZMHSRSKCZGWEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-12-17(23-15(2)28)6-9-19(14)24-21-13-20(25-26-21)16-4-7-18(8-5-16)27-11-3-10-22-27/h3-12,20-21,24-26H,13H2,1-2H3,(H,23,28).
What are the key properties of N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide?
N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 166594276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).