5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C26H33N5O2 — CID 160193145

IUPAC5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCC1=CC(=CC(=C1C)C)CNC2=NNC(=C2C(=O)N)CC3=CC(=C(C=C3)N4CCOCC4)C
InChIInChI=1S/C26H33N5O2/c1-16-11-21(12-17(2)19(16)4)15-28-26-24(25(27)32)22(29-30-26)14-20-5-6-23(18(3)13-20)31-7-9-33-10-8-31/h5-6,11-13H,7-10,14-15H2,1-4H3,(H2,27,32)(H2,28,29,30)
InChIKeyOWIIVYKDGQXMAH-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.60
Rot. Bonds7

About 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 160193145) has the molecular formula C26H33N5O2 and a molecular weight of 447.60 g/mol. Its IUPAC name is 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID160193145
Molecular FormulaC26H33N5O2
Molecular Weight447.60 g/mol
Exact Mass447.26
IUPAC Name5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCC1=CC(=CC(=C1C)C)CNC2=NNC(=C2C(=O)N)CC3=CC(=C(C=C3)N4CCOCC4)C
InChIInChI=1S/C26H33N5O2/c1-16-11-21(12-17(2)19(16)4)15-28-26-24(25(27)32)22(29-30-26)14-20-5-6-23(18(3)13-20)31-7-9-33-10-8-31/h5-6,11-13H,7-10,14-15H2,1-4H3,(H2,27,32)(H2,28,29,30)
InChIKeyOWIIVYKDGQXMAH-UHFFFAOYSA-N
XLogP4.60
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity630

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 160193145) is 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is CC1=CC(=CC(=C1C)C)CNC2=NNC(=C2C(=O)N)CC3=CC(=C(C=C3)N4CCOCC4)C.
What is the InChIKey of 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is OWIIVYKDGQXMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-16-11-21(12-17(2)19(16)4)15-28-26-24(25(27)32)22(29-30-26)14-20-5-6-23(18(3)13-20)31-7-9-33-10-8-31/h5-6,11-13H,7-10,14-15H2,1-4H3,(H2,27,32)(H2,28,29,30).
What are the key properties of 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 160193145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).