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

C19H20F3N3O3 — CID 46968230

IUPACN-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCCCc1cc2c(cc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCC3)OCO2
InChIInChI=1S/C19H20F3N3O3/c1-2-4-11-7-15-16(28-10-27-15)8-13(11)23-17(26)9-25-14-6-3-5-12(14)18(24-25)19(20,21)22/h7-8H,2-6,9-10H2,1H3,(H,23,26)
InChIKeyWVVNPWUAULUBKK-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.71
Rot. Bonds5

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

N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 46968230) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID46968230
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCCCc1cc2c(cc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCC3)OCO2
InChIInChI=1S/C19H20F3N3O3/c1-2-4-11-7-15-16(28-10-27-15)8-13(11)23-17(26)9-25-14-6-3-5-12(14)18(24-25)19(20,21)22/h7-8H,2-6,9-10H2,1H3,(H,23,26)
InChIKeyWVVNPWUAULUBKK-UHFFFAOYSA-N
XLogP3.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 46968230) is N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is CCCc1cc2c(cc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCC3)OCO2.
What is the InChIKey of N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is WVVNPWUAULUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-2-4-11-7-15-16(28-10-27-15)8-13(11)23-17(26)9-25-14-6-3-5-12(14)18(24-25)19(20,21)22/h7-8H,2-6,9-10H2,1H3,(H,23,26).
What are the key properties of N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 395.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 46968230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).