3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole

C11H8F2N2O — CID 69285110

IUPAC3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole
SMILESFC(F)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C11H8F2N2O/c12-11(13)10-7-5-16-8-4-2-1-3-6(8)9(7)14-15-10/h1-4,11H,5H2,(H,14,15)
InChIKeyJCCBKIFCKRVDMX-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.91
Rot. Bonds1

About 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole

3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole (PubChem CID 69285110) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole
PubChem CID69285110
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole
SMILESFC(F)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C11H8F2N2O/c12-11(13)10-7-5-16-8-4-2-1-3-6(8)9(7)14-15-10/h1-4,11H,5H2,(H,14,15)
InChIKeyJCCBKIFCKRVDMX-UHFFFAOYSA-N
XLogP2.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole
CID 2058016
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2055996
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
CID 16187655
CID 16187655
2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 2764201
3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyrazole
CID 2058969
4-[4-(2,6-dimethylphenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2238014
5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
CID 23656797
(1)Benzopyrano(4,3-c)pyrazole, 2,4-dihydro-3-phenyl-
CID 1236282

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole?
The IUPAC name of 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole (CID 69285110) is 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole?
The canonical SMILES for 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole is FC(F)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole?
The InChIKey is JCCBKIFCKRVDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-11(13)10-7-5-16-8-4-2-1-3-6(8)9(7)14-15-10/h1-4,11H,5H2,(H,14,15).
What are the key properties of 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole?
3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole has a molecular weight of 222.19 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,4-dihydrochromeno[4,3-c]pyrazole is sourced from PubChem (CID 69285110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).