2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one

C16H9FN2O2 — CID 50784663

IUPAC2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one
SMILESO=c1c2cc3ccccc3oc-2nn1-c1ccc(F)cc1
InChIInChI=1S/C16H9FN2O2/c17-11-5-7-12(8-6-11)19-16(20)13-9-10-3-1-2-4-14(10)21-15(13)18-19/h1-9H
InChIKeyDNCGPCPMEFWMGN-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.22
Rot. Bonds1

About 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one

2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one (PubChem CID 50784663) has the molecular formula C16H9FN2O2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one
PubChem CID50784663
Molecular FormulaC16H9FN2O2
Molecular Weight280.26 g/mol
Exact Mass280.06
IUPAC Name2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one
SMILESO=c1c2cc3ccccc3oc-2nn1-c1ccc(F)cc1
InChIInChI=1S/C16H9FN2O2/c17-11-5-7-12(8-6-11)19-16(20)13-9-10-3-1-2-4-14(10)21-15(13)18-19/h1-9H
InChIKeyDNCGPCPMEFWMGN-UHFFFAOYSA-N
XLogP3.22
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 694612
2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide
CID 703676
2-imino-N-phenyl-2H-chromene-3-carboxamide
CID 739354
4-(4-Methoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5395481
N-(3-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 748372
N-(3-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 3938413
N-(4-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 4270012
1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
(4E)-4-(4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5386456
2-imino-6-methoxy-N-phenyl-2H-chromene-3-carboxamide
CID 389249
N-(4-fluorophenyl)-2-imino-6-methoxy-2H-chromene-3-carboxamide
CID 4041375
8-Methoxy-2-phenylchromeno[2,3-c]pyrazol-3-one
CID 5307338

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one (CID 50784663) is 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one is O=c1c2cc3ccccc3oc-2nn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one?
The InChIKey is DNCGPCPMEFWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O2/c17-11-5-7-12(8-6-11)19-16(20)13-9-10-3-1-2-4-14(10)21-15(13)18-19/h1-9H.
What are the key properties of 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one?
2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one has a molecular weight of 280.26 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one is sourced from PubChem (CID 50784663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).