4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one

C16H15N3O2 — CID 624533

IUPAC4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccco2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H15N3O2/c1-12-15(17-11-14-9-6-10-21-14)16(20)19(18(12)2)13-7-4-3-5-8-13/h3-11H,1-2H3/b17-11+
InChIKeyORVCQTSBQQLBLZ-GZTJUZNOSA-N
MW281.31 g/mol
LogP2.83
Rot. Bonds3

About 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one

4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 624533) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID624533
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccco2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H15N3O2/c1-12-15(17-11-14-9-6-10-21-14)16(20)19(18(12)2)13-7-4-3-5-8-13/h3-11H,1-2H3/b17-11+
InChIKeyORVCQTSBQQLBLZ-GZTJUZNOSA-N
XLogP2.83
TPSA52.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one (CID 624533) is 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=C/c2ccco2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is ORVCQTSBQQLBLZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-15(17-11-14-9-6-10-21-14)16(20)19(18(12)2)13-7-4-3-5-8-13/h3-11H,1-2H3/b17-11+.
What are the key properties of 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 281.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 624533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).