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

C26H33N7O2 — CID 166594302

IUPACN-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1cc(NC(=O)CCN2CCOCC2)ccc1NC1CC(c2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C26H33N7O2/c1-19-17-21(28-26(34)9-12-32-13-15-35-16-14-32)5-8-23(19)29-25-18-24(30-31-25)20-3-6-22(7-4-20)33-11-2-10-27-33/h2-8,10-11,17,24-25,29-31H,9,12-16,18H2,1H3,(H,28,34)
InChIKeyBHQODGKLNGWGLJ-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.82
Rot. Bonds8

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

N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 166594302) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID166594302
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC NameN-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1cc(NC(=O)CCN2CCOCC2)ccc1NC1CC(c2ccc(-n3cccn3)cc2)NN1
InChIInChI=1S/C26H33N7O2/c1-19-17-21(28-26(34)9-12-32-13-15-35-16-14-32)5-8-23(19)29-25-18-24(30-31-25)20-3-6-22(7-4-20)33-11-2-10-27-33/h2-8,10-11,17,24-25,29-31H,9,12-16,18H2,1H3,(H,28,34)
InChIKeyBHQODGKLNGWGLJ-UHFFFAOYSA-N
XLogP2.82
TPSA95.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide (CID 166594302) is N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide is Cc1cc(NC(=O)CCN2CCOCC2)ccc1NC1CC(c2ccc(-n3cccn3)cc2)NN1.
What is the InChIKey of N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is BHQODGKLNGWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-19-17-21(28-26(34)9-12-32-13-15-35-16-14-32)5-8-23(19)29-25-18-24(30-31-25)20-3-6-22(7-4-20)33-11-2-10-27-33/h2-8,10-11,17,24-25,29-31H,9,12-16,18H2,1H3,(H,28,34).
What are the key properties of N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 475.60 g/mol, XLogP of 2.82, 8 rotatable bonds, 4 hydrogen bond donors, and 8 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]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 166594302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).