N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide

C26H40N4O2 — CID 56500316

IUPACN-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1
InChIInChI=1S/C26H40N4O2/c1-20(2)17-30-23(5)25(22(4)27-30)11-12-26(31)29(19-24-9-7-6-8-10-24)21(3)18-28-13-15-32-16-14-28/h6-10,20-21H,11-19H2,1-5H3
InChIKeyDXYXEKSUEBOEBD-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.84
Rot. Bonds10

About N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide

N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide (PubChem CID 56500316) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide
PubChem CID56500316
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC NameN-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1
InChIInChI=1S/C26H40N4O2/c1-20(2)17-30-23(5)25(22(4)27-30)11-12-26(31)29(19-24-9-7-6-8-10-24)21(3)18-28-13-15-32-16-14-28/h6-10,20-21H,11-19H2,1-5H3
InChIKeyDXYXEKSUEBOEBD-UHFFFAOYSA-N
XLogP3.84
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119196717
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161652
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56502325
2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
CID 119877064
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 56501375
N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 56501893
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-2-(2-ethylbenzimidazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500579
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]propanamide
CID 55887219
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56500713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide (CID 56500316) is N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1.
What is the InChIKey of N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is DXYXEKSUEBOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-20(2)17-30-23(5)25(22(4)27-30)11-12-26(31)29(19-24-9-7-6-8-10-24)21(3)18-28-13-15-32-16-14-28/h6-10,20-21H,11-19H2,1-5H3.
What are the key properties of N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 440.63 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 56500316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).