N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

C24H28N4O3 — CID 19273397

IUPACN-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C24H28N4O3/c29-24(25-12-4-13-27-15-17-30-18-16-27)23-11-14-28(26-23)19-31-22-9-7-21(8-10-22)20-5-2-1-3-6-20/h1-3,5-11,14H,4,12-13,15-19H2,(H,25,29)
InChIKeyMXCWXISFHKSOTC-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.04
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273397) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273397
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C24H28N4O3/c29-24(25-12-4-13-27-15-17-30-18-16-27)23-11-14-28(26-23)19-31-22-9-7-21(8-10-22)20-5-2-1-3-6-20/h1-3,5-11,14H,4,12-13,15-19H2,(H,25,29)
InChIKeyMXCWXISFHKSOTC-UHFFFAOYSA-N
XLogP3.04
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325611
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273541
1-(methoxymethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19270984
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
N-[2-(4-hydroxyphenyl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325440
N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273323
1-[(2,3-dichlorophenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19269771
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19271704
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 49487496
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325715

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 19273397) is N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is MXCWXISFHKSOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-24(25-12-4-13-27-15-17-30-18-16-27)23-11-14-28(26-23)19-31-22-9-7-21(8-10-22)20-5-2-1-3-6-20/h1-3,5-11,14H,4,12-13,15-19H2,(H,25,29).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).