3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C25H31N5O3 — CID 56602851

IUPAC3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCCCN3CCOCC3)cc2-c2cccnc2)cc1
InChIInChI=1S/C25H31N5O3/c1-32-23-8-6-22(7-9-23)30-24(20-4-2-11-26-19-20)18-21(28-30)5-10-25(31)27-12-3-13-29-14-16-33-17-15-29/h2,4,6-9,11,18-19H,3,5,10,12-17H2,1H3,(H,27,31)
InChIKeyVKJKRABZJPMFKF-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.71
Rot. Bonds10

About 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 56602851) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID56602851
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCCCN3CCOCC3)cc2-c2cccnc2)cc1
InChIInChI=1S/C25H31N5O3/c1-32-23-8-6-22(7-9-23)30-24(20-4-2-11-26-19-20)18-21(28-30)5-10-25(31)27-12-3-13-29-14-16-33-17-15-29/h2,4,6-9,11,18-19H,3,5,10,12-17H2,1H3,(H,27,31)
InChIKeyVKJKRABZJPMFKF-UHFFFAOYSA-N
XLogP2.71
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 56602851) is 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is COc1ccc(-n2nc(CCC(=O)NCCCN3CCOCC3)cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is VKJKRABZJPMFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-32-23-8-6-22(7-9-23)30-24(20-4-2-11-26-19-20)18-21(28-30)5-10-25(31)27-12-3-13-29-14-16-33-17-15-29/h2,4,6-9,11,18-19H,3,5,10,12-17H2,1H3,(H,27,31).
What are the key properties of 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 449.56 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 56602851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).