3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide

C20H19F3N6O3 — CID 167768921

IUPAC3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2c1CCC2)c1noc(C(N)=O)n1
InChIInChI=1S/C20H19F3N6O3/c1-19(2,18-25-17(15(24)30)32-28-18)26-16(31)14-12-7-4-8-13(12)29(27-14)11-6-3-5-10(9-11)20(21,22)23/h3,5-6,9H,4,7-8H2,1-2H3,(H2,24,30)(H,26,31)
InChIKeyVYKNMNVNKFQPMX-UHFFFAOYSA-N
MW448.41 g/mol
LogP2.53
Rot. Bonds5

About 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide

3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 167768921) has the molecular formula C20H19F3N6O3 and a molecular weight of 448.41 g/mol. Its IUPAC name is 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID167768921
Molecular FormulaC20H19F3N6O3
Molecular Weight448.41 g/mol
Exact Mass448.15
IUPAC Name3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2c1CCC2)c1noc(C(N)=O)n1
InChIInChI=1S/C20H19F3N6O3/c1-19(2,18-25-17(15(24)30)32-28-18)26-16(31)14-12-7-4-8-13(12)29(27-14)11-6-3-5-10(9-11)20(21,22)23/h3,5-6,9H,4,7-8H2,1-2H3,(H2,24,30)(H,26,31)
InChIKeyVYKNMNVNKFQPMX-UHFFFAOYSA-N
XLogP2.53
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

(2S)-4-methyl-2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pentanoic acid
CID 86779845
2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 122107395
[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 36995955
N-(2-amino-2-methylpropyl)-1-(3-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119630738
3-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 122107981
2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 122107107
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521520
3-[[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 122111289
4-[[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122109214
N-[(E)-(4-tert-butylphenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527585
3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66023397
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide (CID 167768921) is 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2c1CCC2)c1noc(C(N)=O)n1.
What is the InChIKey of 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VYKNMNVNKFQPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3/c1-19(2,18-25-17(15(24)30)32-28-18)26-16(31)14-12-7-4-8-13(12)29(27-14)11-6-3-5-10(9-11)20(21,22)23/h3,5-6,9H,4,7-8H2,1-2H3,(H2,24,30)(H,26,31).
What are the key properties of 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 448.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propan-2-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 167768921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).