N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C22H24N4O2 — CID 99032446

IUPACN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)C[C@H](C)O1
InChIInChI=1S/C22H24N4O2/c1-15-13-26(14-16(2)28-15)19-10-8-18(9-11-19)23-22(27)21-12-20(24-25-21)17-6-4-3-5-7-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,27)(H,24,25)/t15-,16+
InChIKeyKZJVMTARPLXEDP-IYBDPMFKSA-N
MW376.46 g/mol
LogP3.94
Rot. Bonds4

About N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 99032446) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID99032446
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)C[C@H](C)O1
InChIInChI=1S/C22H24N4O2/c1-15-13-26(14-16(2)28-15)19-10-8-18(9-11-19)23-22(27)21-12-20(24-25-21)17-6-4-3-5-7-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,27)(H,24,25)/t15-,16+
InChIKeyKZJVMTARPLXEDP-IYBDPMFKSA-N
XLogP3.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1H-indazol-3-yl(morpholin-4-yl)methanone
CID 1505879
1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418
N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
CID 53317611
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324194
1H-Indazole-3-carboxylic acid [4-(piperidine-1-carbonyl)-phenyl]-amide
CID 86760649
N-{[1-(2-methoxyethyl)pipendin-4-yl]methyl}-5-phenyl-1H-indazole-3-carboxamide
CID 89777945
N-[4-[[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557526
1-[4-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 2531171
1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 69111813
4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 2558643
4-(3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677697
N-benzyl-N-ethyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 16022660

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 99032446) is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is C[C@@H]1CN(c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is KZJVMTARPLXEDP-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-13-26(14-16(2)28-15)19-10-8-18(9-11-19)23-22(27)21-12-20(24-25-21)17-6-4-3-5-7-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,27)(H,24,25)/t15-,16+.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99032446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).