2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine

C19H18ClN3O — CID 71656423

IUPAC2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
SMILESClc1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)[nH]n2)cc1
InChIInChI=1S/C19H18ClN3O/c20-16-7-5-14(6-8-16)18-11-17(22-23-18)13-1-3-15(4-2-13)19-12-21-9-10-24-19/h1-8,11,19,21H,9-10,12H2,(H,22,23)
InChIKeyPKOLLVWCJWWZKW-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.06
Rot. Bonds3

About 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine

2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine (PubChem CID 71656423) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
PubChem CID71656423
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
SMILESClc1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)[nH]n2)cc1
InChIInChI=1S/C19H18ClN3O/c20-16-7-5-14(6-8-16)18-11-17(22-23-18)13-1-3-15(4-2-13)19-12-21-9-10-24-19/h1-8,11,19,21H,9-10,12H2,(H,22,23)
InChIKeyPKOLLVWCJWWZKW-UHFFFAOYSA-N
XLogP4.06
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine (CID 71656423) is 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine is Clc1ccc(-c2cc(-c3ccc(C4CNCCO4)cc3)[nH]n2)cc1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
The InChIKey is PKOLLVWCJWWZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-16-7-5-14(6-8-16)18-11-17(22-23-18)13-1-3-15(4-2-13)19-12-21-9-10-24-19/h1-8,11,19,21H,9-10,12H2,(H,22,23).
What are the key properties of 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine has a molecular weight of 339.83 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine is sourced from PubChem (CID 71656423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).