2-phenylchromeno[4,3-c]pyrazol-4-one

C16H10N2O2 — CID 3856570

IUPAC2-phenylchromeno[4,3-c]pyrazol-4-one
SMILESO=c1oc2ccccc2c2nn(-c3ccccc3)cc12
InChIInChI=1S/C16H10N2O2/c19-16-13-10-18(11-6-2-1-3-7-11)17-15(13)12-8-4-5-9-14(12)20-16/h1-10H
InChIKeyKYVVRESLPBHEMZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.13
Rot. Bonds1

About 2-phenylchromeno[4,3-c]pyrazol-4-one

2-phenylchromeno[4,3-c]pyrazol-4-one (PubChem CID 3856570) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-phenylchromeno[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name2-phenylchromeno[4,3-c]pyrazol-4-one
PubChem CID3856570
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-phenylchromeno[4,3-c]pyrazol-4-one
SMILESO=c1oc2ccccc2c2nn(-c3ccccc3)cc12
InChIInChI=1S/C16H10N2O2/c19-16-13-10-18(11-6-2-1-3-7-11)17-15(13)12-8-4-5-9-14(12)20-16/h1-10H
InChIKeyKYVVRESLPBHEMZ-UHFFFAOYSA-N
XLogP3.13
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylchromeno[4,3-c]pyrazol-4-one?
The IUPAC name of 2-phenylchromeno[4,3-c]pyrazol-4-one (CID 3856570) is 2-phenylchromeno[4,3-c]pyrazol-4-one.
What is the SMILES notation for 2-phenylchromeno[4,3-c]pyrazol-4-one?
The canonical SMILES for 2-phenylchromeno[4,3-c]pyrazol-4-one is O=c1oc2ccccc2c2nn(-c3ccccc3)cc12.
What is the InChIKey of 2-phenylchromeno[4,3-c]pyrazol-4-one?
The InChIKey is KYVVRESLPBHEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-13-10-18(11-6-2-1-3-7-11)17-15(13)12-8-4-5-9-14(12)20-16/h1-10H.
What are the key properties of 2-phenylchromeno[4,3-c]pyrazol-4-one?
2-phenylchromeno[4,3-c]pyrazol-4-one has a molecular weight of 262.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylchromeno[4,3-c]pyrazol-4-one is sourced from PubChem (CID 3856570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).