1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one

C16H17Cl2N3O2 — CID 56746878

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-3-1-12(2-4-13)15-11-20(7-8-23-15)16(22)5-6-21-10-14(18)9-19-21/h1-4,9-10,15H,5-8,11H2
InChIKeyVXPYBXVUUJHDOY-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one

1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one (PubChem CID 56746878) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one
PubChem CID56746878
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-3-1-12(2-4-13)15-11-20(7-8-23-15)16(22)5-6-21-10-14(18)9-19-21/h1-4,9-10,15H,5-8,11H2
InChIKeyVXPYBXVUUJHDOY-UHFFFAOYSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529676
2-[(2-Chlorophenyl)methoxy]-1-(3-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 53553857
N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide
CID 71993878
(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperidine
CID 164611678
2-(4-chlorophenyl)-4-[3-(1H-pyrazol-1-ylmethyl)benzoyl]morpholine
CID 56759187
(2-(3,5-dichlorophenyl)morpholino)(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanone
CID 71804699
1-(3,5-Dimethyl-2-phenylmorpholin-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 72019119
(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 91660246
(2R)-2-(4-chlorophenyl)-4-[3-(4-methylpyrazol-1-yl)propyl]morpholine
CID 95549316
1-[2-[4-[(4-Fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 170732208
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 36289982
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 36289985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one (CID 56746878) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one is O=C(CCn1cc(Cl)cn1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one?
The InChIKey is VXPYBXVUUJHDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c17-13-3-1-12(2-4-13)15-11-20(7-8-23-15)16(22)5-6-21-10-14(18)9-19-21/h1-4,9-10,15H,5-8,11H2.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one?
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one has a molecular weight of 354.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(4-chloropyrazol-1-yl)propan-1-one is sourced from PubChem (CID 56746878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).