4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine

C19H18ClN3O — CID 135065252

IUPAC4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine
SMILESClc1ccc(-n2nc(-c3ccccc3)cc2N2CCOCC2)cc1
InChIInChI=1S/C19H18ClN3O/c20-16-6-8-17(9-7-16)23-19(22-10-12-24-13-11-22)14-18(21-23)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKeyJYQYTTFUZAGPBO-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.03
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine

4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine (PubChem CID 135065252) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine
PubChem CID135065252
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine
SMILESClc1ccc(-n2nc(-c3ccccc3)cc2N2CCOCC2)cc1
InChIInChI=1S/C19H18ClN3O/c20-16-6-8-17(9-7-16)23-19(22-10-12-24-13-11-22)14-18(21-23)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKeyJYQYTTFUZAGPBO-UHFFFAOYSA-N
XLogP4.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine (CID 135065252) is 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine is Clc1ccc(-n2nc(-c3ccccc3)cc2N2CCOCC2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine?
The InChIKey is JYQYTTFUZAGPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-16-6-8-17(9-7-16)23-19(22-10-12-24-13-11-22)14-18(21-23)15-4-2-1-3-5-15/h1-9,14H,10-13H2.
What are the key properties of 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine?
4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine has a molecular weight of 339.83 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]morpholine is sourced from PubChem (CID 135065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).