1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one

C11H9ClN2O2 — CID 105498313

IUPAC1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one
SMILESO=c1[nH]n(-c2ccc(Cl)cc2)c2c1COC2
InChIInChI=1S/C11H9ClN2O2/c12-7-1-3-8(4-2-7)14-10-6-16-5-9(10)11(15)13-14/h1-4H,5-6H2,(H,13,15)
InChIKeyFTAGMEAJDUGNCW-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.85
Rot. Bonds1

About 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one

1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one (PubChem CID 105498313) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one
PubChem CID105498313
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one
SMILESO=c1[nH]n(-c2ccc(Cl)cc2)c2c1COC2
InChIInChI=1S/C11H9ClN2O2/c12-7-1-3-8(4-2-7)14-10-6-16-5-9(10)11(15)13-14/h1-4H,5-6H2,(H,13,15)
InChIKeyFTAGMEAJDUGNCW-UHFFFAOYSA-N
XLogP1.85
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 83868838
4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one
CID 113363113
5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one
CID 45480045
4-(4-chlorophenyl)-11-methyl-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-5-one
CID 21270420
1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 122714807
sodium;2-(4-chlorophenyl)-1H-pyrazol-5-one;hydride
CID 175413943
4-amino-2-(4-chlorophenyl)-1H-pyrazol-3-one
CID 83884734
2-(4-chlorophenyl)-4-methyl-1H-triazol-5-one
CID 610581
(4S)-3-(4-chlorophenyl)-4-[(4S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-1,3-oxazolidin-2-one
CID 11429301
4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 5305598
6-chloro-1-phenyl-2H-indazol-3-one
CID 16638458
10-(4-chlorophenyl)-1,2,3,4-tetrahydroacridin-9-one
CID 165354564

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one?
The IUPAC name of 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one (CID 105498313) is 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one is O=c1[nH]n(-c2ccc(Cl)cc2)c2c1COC2.
What is the InChIKey of 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one?
The InChIKey is FTAGMEAJDUGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-7-1-3-8(4-2-7)14-10-6-16-5-9(10)11(15)13-14/h1-4H,5-6H2,(H,13,15).
What are the key properties of 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one?
1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one has a molecular weight of 236.66 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105498313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).