(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one

C19H18ClN3O3 — CID 6069410

IUPAC(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one
SMILESCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1
InChIInChI=1S/C19H18ClN3O3/c1-13-17(19(24)23(21-13)15-4-2-3-14(20)11-15)12-16-5-6-18(26-16)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3/b17-12-
InChIKeyRSYWMQNOLLYQFK-ATVHPVEESA-N
MW371.82 g/mol
LogP3.58
Rot. Bonds3

About (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one

(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one (PubChem CID 6069410) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one
PubChem CID6069410
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one
SMILESCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1
InChIInChI=1S/C19H18ClN3O3/c1-13-17(19(24)23(21-13)15-4-2-3-14(20)11-15)12-16-5-6-18(26-16)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3/b17-12-
InChIKeyRSYWMQNOLLYQFK-ATVHPVEESA-N
XLogP3.58
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one?
The IUPAC name of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one (CID 6069410) is (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one.
What is the SMILES notation for (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one?
The canonical SMILES for (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one is CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1.
What is the InChIKey of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one?
The InChIKey is RSYWMQNOLLYQFK-ATVHPVEESA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13-17(19(24)23(21-13)15-4-2-3-14(20)11-15)12-16-5-6-18(26-16)22-7-9-25-10-8-22/h2-6,11-12H,7-10H2,1H3/b17-12-.
What are the key properties of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one?
(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one has a molecular weight of 371.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(5-morpholin-4-ylfuran-2-yl)methylidene]pyrazol-3-one is sourced from PubChem (CID 6069410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).