N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide

C21H18F3N3O2 — CID 51125988

IUPACN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCn1nc2c(c1NC(=O)c1cccc(Oc3cccc(C(F)(F)F)c3)c1)CCC2
InChIInChI=1S/C21H18F3N3O2/c1-27-19(17-9-4-10-18(17)26-27)25-20(28)13-5-2-7-15(11-13)29-16-8-3-6-14(12-16)21(22,23)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,25,28)
InChIKeyDPCBFKPVZPQPDF-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.97
Rot. Bonds4

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

N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide (PubChem CID 51125988) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide
PubChem CID51125988
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESCn1nc2c(c1NC(=O)c1cccc(Oc3cccc(C(F)(F)F)c3)c1)CCC2
InChIInChI=1S/C21H18F3N3O2/c1-27-19(17-9-4-10-18(17)26-27)25-20(28)13-5-2-7-15(11-13)29-16-8-3-6-14(12-16)21(22,23)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,25,28)
InChIKeyDPCBFKPVZPQPDF-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide (CID 51125988) is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide is Cn1nc2c(c1NC(=O)c1cccc(Oc3cccc(C(F)(F)F)c3)c1)CCC2.
What is the InChIKey of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is DPCBFKPVZPQPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-27-19(17-9-4-10-18(17)26-27)25-20(28)13-5-2-7-15(11-13)29-16-8-3-6-14(12-16)21(22,23)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,25,28).
What are the key properties of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 401.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-[3-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 51125988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).