(Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine

C14H15FN4O — CID 137247072

IUPAC(Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESFc1ccc(-c2[nH]ncc2/C=N\N2CCOCC2)cc1
InChIInChI=1S/C14H15FN4O/c15-13-3-1-11(2-4-13)14-12(9-16-18-14)10-17-19-5-7-20-8-6-19/h1-4,9-10H,5-8H2,(H,16,18)/b17-10-
InChIKeyMTFSCSITKSQKBJ-YVLHZVERSA-N
MW274.30 g/mol
LogP1.88
Rot. Bonds3

About (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine

(Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine (PubChem CID 137247072) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine
PubChem CID137247072
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name(Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESFc1ccc(-c2[nH]ncc2/C=N\N2CCOCC2)cc1
InChIInChI=1S/C14H15FN4O/c15-13-3-1-11(2-4-13)14-12(9-16-18-14)10-17-19-5-7-20-8-6-19/h1-4,9-10H,5-8H2,(H,16,18)/b17-10-
InChIKeyMTFSCSITKSQKBJ-YVLHZVERSA-N
XLogP1.88
TPSA53.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(cyclobutylmethyl){[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}(tetrahydrofuran-2-ylmethyl)amine
CID 16189956
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
4-[(4-fluorophenyl)methylidene]-1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
CID 9886126
4-fluoro-3-phenyl-1H-pyrazole
CID 49831422
4-[(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16190916
(3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 96405438
5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole
CID 2805452
4-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl}morpholine
CID 1487678
3-(4-Fluorophenyl)-4-methyl-1H-pyrazole
CID 20686953
2-(benzyl{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)ethanol
CID 644635
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
CID 2812415
1-benzyl-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812416

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine (CID 137247072) is (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine is Fc1ccc(-c2[nH]ncc2/C=N\N2CCOCC2)cc1.
What is the InChIKey of (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is MTFSCSITKSQKBJ-YVLHZVERSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-13-3-1-11(2-4-13)14-12(9-16-18-14)10-17-19-5-7-20-8-6-19/h1-4,9-10H,5-8H2,(H,16,18)/b17-10-.
What are the key properties of (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
(Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 274.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 137247072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).