[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone

C20H20N4O3 — CID 658202

IUPAC[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1ncc(/N=C/c2c(O)ccc3ccccc23)c1C(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O3/c1-23-19(20(26)24-8-10-27-11-9-24)17(13-22-23)21-12-16-15-5-3-2-4-14(15)6-7-18(16)25/h2-7,12-13,25H,8-11H2,1H3/b21-12+
InChIKeySNYOUCFSFAASPB-CIAFOILYSA-N
MW364.41 g/mol
LogP2.50
Rot. Bonds3

About [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone

[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 658202) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID658202
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1ncc(/N=C/c2c(O)ccc3ccccc23)c1C(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O3/c1-23-19(20(26)24-8-10-27-11-9-24)17(13-22-23)21-12-16-15-5-3-2-4-14(15)6-7-18(16)25/h2-7,12-13,25H,8-11H2,1H3/b21-12+
InChIKeySNYOUCFSFAASPB-CIAFOILYSA-N
XLogP2.50
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
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 [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone (CID 658202) is [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone is Cn1ncc(/N=C/c2c(O)ccc3ccccc23)c1C(=O)N1CCOCC1.
What is the InChIKey of [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is SNYOUCFSFAASPB-CIAFOILYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23-19(20(26)24-8-10-27-11-9-24)17(13-22-23)21-12-16-15-5-3-2-4-14(15)6-7-18(16)25/h2-7,12-13,25H,8-11H2,1H3/b21-12+.
What are the key properties of [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 658202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).