3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline

C15H19FN4O — CID 150699520

IUPAC3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline
SMILESNc1ccc(-c2cnn(CCN3CCOCC3)c2)c(F)c1
InChIInChI=1S/C15H19FN4O/c16-15-9-13(17)1-2-14(15)12-10-18-20(11-12)4-3-19-5-7-21-8-6-19/h1-2,9-11H,3-8,17H2
InChIKeyJLOMKOMEERSNBP-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.60
Rot. Bonds4

About 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline

3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline (PubChem CID 150699520) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline
PubChem CID150699520
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline
SMILESNc1ccc(-c2cnn(CCN3CCOCC3)c2)c(F)c1
InChIInChI=1S/C15H19FN4O/c16-15-9-13(17)1-2-14(15)12-10-18-20(11-12)4-3-19-5-7-21-8-6-19/h1-2,9-11H,3-8,17H2
InChIKeyJLOMKOMEERSNBP-UHFFFAOYSA-N
XLogP1.60
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
US11370784, Example 5
CID 134418892
2-[4-[2-[4-(Trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
CID 142468276
2-(4-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl) methyl) piperazin-1-yl)ethanol
CID 135659014
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6902384
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
CID 9553542
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
CID 16192474
2-{4-[({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-1-piperidinyl}ethanol
CID 42210143
1-[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]methanamine
CID 72545820

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline?
The IUPAC name of 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline (CID 150699520) is 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline.
What is the SMILES notation for 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline?
The canonical SMILES for 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline is Nc1ccc(-c2cnn(CCN3CCOCC3)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline?
The InChIKey is JLOMKOMEERSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-15-9-13(17)1-2-14(15)12-10-18-20(11-12)4-3-19-5-7-21-8-6-19/h1-2,9-11H,3-8,17H2.
What are the key properties of 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline?
3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline has a molecular weight of 290.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]aniline is sourced from PubChem (CID 150699520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).