N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

C16H23F2N3O — CID 19591191

IUPACN-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)c2c1CCC2)NC1CCCCCC1
InChIInChI=1S/C16H23F2N3O/c17-16(18)15-12-8-5-9-13(12)21(20-15)10-14(22)19-11-6-3-1-2-4-7-11/h11,16H,1-10H2,(H,19,22)
InChIKeyAGLUEWPOVHQBAR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.15
Rot. Bonds4

About N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 19591191) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID19591191
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)c2c1CCC2)NC1CCCCCC1
InChIInChI=1S/C16H23F2N3O/c17-16(18)15-12-8-5-9-13(12)21(20-15)10-14(22)19-11-6-3-1-2-4-7-11/h11,16H,1-10H2,(H,19,22)
InChIKeyAGLUEWPOVHQBAR-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 19591191) is N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)F)c2c1CCC2)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is AGLUEWPOVHQBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c17-16(18)15-12-8-5-9-13(12)21(20-15)10-14(22)19-11-6-3-1-2-4-7-11/h11,16H,1-10H2,(H,19,22).
What are the key properties of N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 19591191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).