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

C19H18ClN3O — CID 57332354

IUPAC4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine
SMILESClc1ccc(-c2cc(N3CCOCC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18ClN3O/c20-16-8-6-15(7-9-16)18-14-19(22-10-12-24-13-11-22)23(21-18)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyDYDUPAAFANGESC-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.03
Rot. Bonds3

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

4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine (PubChem CID 57332354) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine
PubChem CID57332354
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine
SMILESClc1ccc(-c2cc(N3CCOCC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18ClN3O/c20-16-8-6-15(7-9-16)18-14-19(22-10-12-24-13-11-22)23(21-18)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyDYDUPAAFANGESC-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-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine (CID 57332354) is 4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine is Clc1ccc(-c2cc(N3CCOCC3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine?
The InChIKey is DYDUPAAFANGESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-16-8-6-15(7-9-16)18-14-19(22-10-12-24-13-11-22)23(21-18)17-4-2-1-3-5-17/h1-9,14H,10-13H2.
What are the key properties of 4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine?
4-[3-(4-chlorophenyl)-1-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-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]morpholine is sourced from PubChem (CID 57332354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).