[2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

C21H20ClN3O2 — CID 56759187

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H20ClN3O2/c22-19-7-5-17(6-8-19)20-15-24(11-12-27-20)21(26)18-4-1-3-16(13-18)14-25-10-2-9-23-25/h1-10,13,20H,11-12,14-15H2
InChIKeyQINGAXNRKXZVGY-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.80
Rot. Bonds4

About [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

[2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 56759187) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID56759187
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H20ClN3O2/c22-19-7-5-17(6-8-19)20-15-24(11-12-27-20)21(26)18-4-1-3-16(13-18)14-25-10-2-9-23-25/h1-10,13,20H,11-12,14-15H2
InChIKeyQINGAXNRKXZVGY-UHFFFAOYSA-N
XLogP3.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (CID 56759187) is [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Cn2cccn2)c1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is QINGAXNRKXZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-19-7-5-17(6-8-19)20-15-24(11-12-27-20)21(26)18-4-1-3-16(13-18)14-25-10-2-9-23-25/h1-10,13,20H,11-12,14-15H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 381.86 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 56759187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).