4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline

C19H20N4O2 — CID 23656796

IUPAC4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O2/c20-15-3-7-17(8-4-15)25-16-5-1-14(2-6-16)18-13-19(22-21-18)23-9-11-24-12-10-23/h1-8,13H,9-12,20H2,(H,21,22)
InChIKeyXTXYJSGSFORJKH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.29
Rot. Bonds4

About 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline

4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline (PubChem CID 23656796) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline
PubChem CID23656796
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline
SMILESNc1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O2/c20-15-3-7-17(8-4-15)25-16-5-1-14(2-6-16)18-13-19(22-21-18)23-9-11-24-12-10-23/h1-8,13H,9-12,20H2,(H,21,22)
InChIKeyXTXYJSGSFORJKH-UHFFFAOYSA-N
XLogP3.29
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
CID 2806213
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
tert-butyl 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate
CID 23656964
N-(4-ethoxyphenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)thiourea
CID 935066
4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
CID 23656963
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
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
CID 59173888

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline?
The IUPAC name of 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline (CID 23656796) is 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline.
What is the SMILES notation for 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline?
The canonical SMILES for 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline is Nc1ccc(Oc2ccc(-c3cc(N4CCOCC4)n[nH]3)cc2)cc1.
What is the InChIKey of 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline?
The InChIKey is XTXYJSGSFORJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-15-3-7-17(8-4-15)25-16-5-1-14(2-6-16)18-13-19(22-21-18)23-9-11-24-12-10-23/h1-8,13H,9-12,20H2,(H,21,22).
What are the key properties of 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline?
4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline has a molecular weight of 336.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline is sourced from PubChem (CID 23656796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).