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

C25H24N4O2 — CID 23656966

IUPAC4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline
SMILESNc1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)cc2N2CCOCC2)cc1
InChIInChI=1S/C25H24N4O2/c26-20-8-10-21(11-9-20)29-25(28-14-16-30-17-15-28)18-24(27-29)19-6-12-23(13-7-19)31-22-4-2-1-3-5-22/h1-13,18H,14-17,26H2
InChIKeyMPMTUIGMIZXZOT-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.75
Rot. Bonds5

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

4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline (PubChem CID 23656966) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline.

Molecular Properties

Compound Name4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline
PubChem CID23656966
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline
SMILESNc1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)cc2N2CCOCC2)cc1
InChIInChI=1S/C25H24N4O2/c26-20-8-10-21(11-9-20)29-25(28-14-16-30-17-15-28)18-24(27-29)19-6-12-23(13-7-19)31-22-4-2-1-3-5-22/h1-13,18H,14-17,26H2
InChIKeyMPMTUIGMIZXZOT-UHFFFAOYSA-N
XLogP4.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
CID 10972838
1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine
CID 23656967
4-(4-Methoxyphenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 4291554
N-cyclohexyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 49791355
4-[7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
CID 1476936
4,6-bis(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine
CID 141477284
4-[5-[4-(4-nitrophenoxy)phenyl]-1H-pyrazol-3-yl]morpholine
CID 23656794
4-[1-(4-Nitrophenyl)-3-(4-phenoxyphenyl)pyrazol-5-yl]morpholine
CID 23656965
2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46942587
N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46942740
N-(2-morpholin-4-ylethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49778648

Frequently Asked Questions

What is the IUPAC name of 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline?
The IUPAC name of 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline (CID 23656966) is 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline.
What is the SMILES notation for 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline?
The canonical SMILES for 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline is Nc1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)cc2N2CCOCC2)cc1.
What is the InChIKey of 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline?
The InChIKey is MPMTUIGMIZXZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c26-20-8-10-21(11-9-20)29-25(28-14-16-30-17-15-28)18-24(27-29)19-6-12-23(13-7-19)31-22-4-2-1-3-5-22/h1-13,18H,14-17,26H2.
What are the key properties of 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline?
4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline has a molecular weight of 412.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline is sourced from PubChem (CID 23656966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).