5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole

C12H16F2N2O — CID 164630170

IUPAC5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
SMILESFC(F)c1cc(C2CC2)n([C@H]2CCCOC2)n1
InChIInChI=1S/C12H16F2N2O/c13-12(14)10-6-11(8-3-4-8)16(15-10)9-2-1-5-17-7-9/h6,8-9,12H,1-5,7H2/t9-/m0/s1
InChIKeyOSFSDSPSBARANZ-VIFPVBQESA-N
MW242.27 g/mol
LogP3.05
Rot. Bonds3

About 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole

5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole (PubChem CID 164630170) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
PubChem CID164630170
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
SMILESFC(F)c1cc(C2CC2)n([C@H]2CCCOC2)n1
InChIInChI=1S/C12H16F2N2O/c13-12(14)10-6-11(8-3-4-8)16(15-10)9-2-1-5-17-7-9/h6,8-9,12H,1-5,7H2/t9-/m0/s1
InChIKeyOSFSDSPSBARANZ-VIFPVBQESA-N
XLogP3.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole?
The IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole (CID 164630170) is 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole.
What is the SMILES notation for 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole?
The canonical SMILES for 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole is FC(F)c1cc(C2CC2)n([C@H]2CCCOC2)n1.
What is the InChIKey of 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole?
The InChIKey is OSFSDSPSBARANZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-12(14)10-6-11(8-3-4-8)16(15-10)9-2-1-5-17-7-9/h6,8-9,12H,1-5,7H2/t9-/m0/s1.
What are the key properties of 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole?
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole has a molecular weight of 242.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole is sourced from PubChem (CID 164630170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).