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

C23H23N5O2 — CID 35325611

IUPACN-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H23N5O2/c29-23(25-12-4-14-27-16-13-24-17-27)22-11-15-28(26-22)18-30-21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-11,13,15-17H,4,12,14,18H2,(H,25,29)
InChIKeySGXQYQXFYGYICS-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.60
Rot. Bonds9

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

N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 35325611) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID35325611
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C23H23N5O2/c29-23(25-12-4-14-27-16-13-24-17-27)22-11-15-28(26-22)18-30-21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-11,13,15-17H,4,12,14,18H2,(H,25,29)
InChIKeySGXQYQXFYGYICS-UHFFFAOYSA-N
XLogP3.60
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19328190
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273541
N-[2-(4-hydroxyphenyl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325440
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19283265
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271206
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273562
N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273323

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 35325611) is N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is O=C(NCCCn1ccnc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is SGXQYQXFYGYICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-23(25-12-4-14-27-16-13-24-17-27)22-11-15-28(26-22)18-30-21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-11,13,15-17H,4,12,14,18H2,(H,25,29).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35325611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).