(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

C18H18N4O2 — CID 8973426

IUPAC(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESC(=N\N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C18H18N4O2/c1-2-5-16(6-3-1)22-14-15(13-19-21-8-11-23-12-9-21)18(20-22)17-7-4-10-24-17/h1-7,10,13-14H,8-9,11-12H2/b19-13-
InChIKeyPJVOYBVMCCAPNU-UYRXBGFRSA-N
MW322.37 g/mol
LogP2.80
Rot. Bonds4

About (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (PubChem CID 8973426) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
PubChem CID8973426
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESC(=N\N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C18H18N4O2/c1-2-5-16(6-3-1)22-14-15(13-19-21-8-11-23-12-9-21)18(20-22)17-7-4-10-24-17/h1-7,10,13-14H,8-9,11-12H2/b19-13-
InChIKeyPJVOYBVMCCAPNU-UYRXBGFRSA-N
XLogP2.80
TPSA55.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (CID 8973426) is (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is C(=N\N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccco1.
What is the InChIKey of (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is PJVOYBVMCCAPNU-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-5-16(6-3-1)22-14-15(13-19-21-8-11-23-12-9-21)18(20-22)17-7-4-10-24-17/h1-7,10,13-14H,8-9,11-12H2/b19-13-.
What are the key properties of (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 322.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 8973426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).