N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide

C21H22N4O2 — CID 51124890

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c26-21(20-10-11-25(23-20)19-4-2-1-3-5-19)22-16-17-6-8-18(9-7-17)24-12-14-27-15-13-24/h1-11H,12-16H2,(H,22,26)
InChIKeyBQTUDEFFQRCPCL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.64
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide

N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 51124890) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID51124890
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c26-21(20-10-11-25(23-20)19-4-2-1-3-5-19)22-16-17-6-8-18(9-7-17)24-12-14-27-15-13-24/h1-11H,12-16H2,(H,22,26)
InChIKeyBQTUDEFFQRCPCL-UHFFFAOYSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-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

1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651159
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 78957455
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 94538736
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide (CID 51124890) is N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is BQTUDEFFQRCPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(20-10-11-25(23-20)19-4-2-1-3-5-19)22-16-17-6-8-18(9-7-17)24-12-14-27-15-13-24/h1-11H,12-16H2,(H,22,26).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide?
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51124890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).