2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide

C20H17F2N3O2 — CID 30007381

IUPAC2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1OC(F)F
InChIInChI=1S/C20H17F2N3O2/c21-20(22)27-17-12-5-4-9-15(17)19(26)23-18-14-10-6-11-16(14)24-25(18)13-7-2-1-3-8-13/h1-5,7-9,12,20H,6,10-11H2,(H,23,26)
InChIKeyDNCYDHVXVJTIMJ-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.21
Rot. Bonds5

About 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide

2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide (PubChem CID 30007381) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
PubChem CID30007381
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1OC(F)F
InChIInChI=1S/C20H17F2N3O2/c21-20(22)27-17-12-5-4-9-15(17)19(26)23-18-14-10-6-11-16(14)24-25(18)13-7-2-1-3-8-13/h1-5,7-9,12,20H,6,10-11H2,(H,23,26)
InChIKeyDNCYDHVXVJTIMJ-UHFFFAOYSA-N
XLogP4.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide (CID 30007381) is 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide is O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
The InChIKey is DNCYDHVXVJTIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-20(22)27-17-12-5-4-9-15(17)19(26)23-18-14-10-6-11-16(14)24-25(18)13-7-2-1-3-8-13/h1-5,7-9,12,20H,6,10-11H2,(H,23,26).
What are the key properties of 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide?
2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide has a molecular weight of 369.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 30007381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).