4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine

C19H19N3O2 — CID 2806213

IUPAC4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
SMILESc1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
InChIKeyWQWBZRVAFAMASC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.71
Rot. Bonds4

About 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine

4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine (PubChem CID 2806213) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
PubChem CID2806213
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
SMILESc1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
InChIKeyWQWBZRVAFAMASC-UHFFFAOYSA-N
XLogP3.71
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine
CID 23656967
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-morpholin-4-ylpentanamide
CID 24998360
N-[5-(4-Methoxy-phenyl)-2H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 25029711
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523356
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-(1,4-oxazepan-4-yl)pentanamide
CID 57523415
4-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 59173799
tert-butyl 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate
CID 23656964
4-[6-(2-Phenylmethoxyphenyl)pyridazin-3-yl]morpholine
CID 46226110
4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
CID 23656963
N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 25029475
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-(4-methylpiperidin-1-yl)pentanamide
CID 57523386
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 59173760

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine?
The IUPAC name of 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine (CID 2806213) is 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine is c1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1.
What is the InChIKey of 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine?
The InChIKey is WQWBZRVAFAMASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21).
What are the key properties of 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine?
4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine has a molecular weight of 321.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 2806213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).