(4-methoxy-5-phenylpyrazol-3-ylidene)methanone

C11H8N2O2 — CID 88596964

IUPAC(4-methoxy-5-phenylpyrazol-3-ylidene)methanone
SMILESCOC1=C(c2ccccc2)N=NC1=C=O
InChIInChI=1S/C11H8N2O2/c1-15-11-9(7-14)12-13-10(11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyQLRCQTBDUXRZGE-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.18
Rot. Bonds2

About (4-methoxy-5-phenylpyrazol-3-ylidene)methanone

(4-methoxy-5-phenylpyrazol-3-ylidene)methanone (PubChem CID 88596964) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is (4-methoxy-5-phenylpyrazol-3-ylidene)methanone.

Molecular Properties

Compound Name(4-methoxy-5-phenylpyrazol-3-ylidene)methanone
PubChem CID88596964
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name(4-methoxy-5-phenylpyrazol-3-ylidene)methanone
SMILESCOC1=C(c2ccccc2)N=NC1=C=O
InChIInChI=1S/C11H8N2O2/c1-15-11-9(7-14)12-13-10(11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyQLRCQTBDUXRZGE-UHFFFAOYSA-N
XLogP2.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-5-phenylpyrazol-3-ylidene)methanone?
The IUPAC name of (4-methoxy-5-phenylpyrazol-3-ylidene)methanone (CID 88596964) is (4-methoxy-5-phenylpyrazol-3-ylidene)methanone.
What is the SMILES notation for (4-methoxy-5-phenylpyrazol-3-ylidene)methanone?
The canonical SMILES for (4-methoxy-5-phenylpyrazol-3-ylidene)methanone is COC1=C(c2ccccc2)N=NC1=C=O.
What is the InChIKey of (4-methoxy-5-phenylpyrazol-3-ylidene)methanone?
The InChIKey is QLRCQTBDUXRZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-15-11-9(7-14)12-13-10(11)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of (4-methoxy-5-phenylpyrazol-3-ylidene)methanone?
(4-methoxy-5-phenylpyrazol-3-ylidene)methanone has a molecular weight of 200.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-5-phenylpyrazol-3-ylidene)methanone is sourced from PubChem (CID 88596964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).