(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one

C16H18ClN3O3 — CID 100829209

IUPAC(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C16H18ClN3O3/c1-12(16(21)19-7-9-22-10-8-19)23-15-14(17)11-20(18-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/t12-/m1/s1
InChIKeyUVMSEWPKIPSUBM-GFCCVEGCSA-N
MW335.79 g/mol
LogP2.15
Rot. Bonds4

About (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one

(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one (PubChem CID 100829209) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
PubChem CID100829209
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C16H18ClN3O3/c1-12(16(21)19-7-9-22-10-8-19)23-15-14(17)11-20(18-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/t12-/m1/s1
InChIKeyUVMSEWPKIPSUBM-GFCCVEGCSA-N
XLogP2.15
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxypropan-1-one
CID 102567189
1-(4-acetylpiperazin-1-yl)-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropan-1-one
CID 102567239
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100829245
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 16531058
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one (CID 100829209) is (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one is C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
The InChIKey is UVMSEWPKIPSUBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-12(16(21)19-7-9-22-10-8-19)23-15-14(17)11-20(18-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one?
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one has a molecular weight of 335.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 100829209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).