1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

C22H23N3O2 — CID 149119279

IUPAC1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)Cc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C22H23N3O2/c1-15-21(18-5-3-2-4-6-18)24-25-22(15)19(26)13-16-7-9-17(10-8-16)20-14-23-11-12-27-20/h2-10,20,23H,11-14H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyQZEVXIIBPIVEIL-HXUWFJFHSA-N
MW361.45 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (PubChem CID 149119279) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
PubChem CID149119279
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)Cc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C22H23N3O2/c1-15-21(18-5-3-2-4-6-18)24-25-22(15)19(26)13-16-7-9-17(10-8-16)20-14-23-11-12-27-20/h2-10,20,23H,11-14H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyQZEVXIIBPIVEIL-HXUWFJFHSA-N
XLogP3.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone 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-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)propan-2-one
CID 58315659
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507
azane;2-phenylmorpholine
CID 174664757
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The IUPAC name of 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (CID 149119279) is 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is Cc1c(-c2ccccc2)n[nH]c1C(=O)Cc1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The InChIKey is QZEVXIIBPIVEIL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-21(18-5-3-2-4-6-18)24-25-22(15)19(26)13-16-7-9-17(10-8-16)20-14-23-11-12-27-20/h2-10,20,23H,11-14H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-phenyl-1H-pyrazol-5-yl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is sourced from PubChem (CID 149119279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).