3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide

C14H17F3N4O3 — CID 138012340

IUPAC3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide
SMILESNC(=O)C1(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CCOC1
InChIInChI=1S/C14H17F3N4O3/c15-14(16,17)11-8-2-1-3-9(8)21(20-11)6-10(22)19-13(12(18)23)4-5-24-7-13/h1-7H2,(H2,18,23)(H,19,22)
InChIKeyGMBUZUVGMDYWMO-UHFFFAOYSA-N
MW346.31 g/mol
LogP0.15
Rot. Bonds4

About 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide

3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide (PubChem CID 138012340) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide
PubChem CID138012340
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide
SMILESNC(=O)C1(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CCOC1
InChIInChI=1S/C14H17F3N4O3/c15-14(16,17)11-8-2-1-3-9(8)21(20-11)6-10(22)19-13(12(18)23)4-5-24-7-13/h1-7H2,(H2,18,23)(H,19,22)
InChIKeyGMBUZUVGMDYWMO-UHFFFAOYSA-N
XLogP0.15
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 798540
1-(morpholin-4-yl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]ethanone
CID 1223613
N-[1-(methoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide
CID 19591031
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 17060240
(2S)-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092521
(2R)-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092522
N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)tetrahydrofuran-3-carboxamide
CID 91819392
(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
CID 100759262
(3R)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
CID 100759267
3-[4-[(3,5-Diethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]oxolane-3-carboxamide
CID 137839754

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide?
The IUPAC name of 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide (CID 138012340) is 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide.
What is the SMILES notation for 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide?
The canonical SMILES for 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide is NC(=O)C1(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CCOC1.
What is the InChIKey of 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide?
The InChIKey is GMBUZUVGMDYWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c15-14(16,17)11-8-2-1-3-9(8)21(20-11)6-10(22)19-13(12(18)23)4-5-24-7-13/h1-7H2,(H2,18,23)(H,19,22).
What are the key properties of 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide?
3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetyl]amino]oxolane-3-carboxamide is sourced from PubChem (CID 138012340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).