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

C13H13F3N4O2 — CID 798544

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)no1
InChIInChI=1S/C13H13F3N4O2/c1-7-5-10(19-22-7)17-11(21)6-20-9-4-2-3-8(9)12(18-20)13(14,15)16/h5H,2-4,6H2,1H3,(H,17,19,21)
InChIKeyJTIDMENQIVFBHS-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.33
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 798544) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID798544
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)no1
InChIInChI=1S/C13H13F3N4O2/c1-7-5-10(19-22-7)17-11(21)6-20-9-4-2-3-8(9)12(18-20)13(14,15)16/h5H,2-4,6H2,1H3,(H,17,19,21)
InChIKeyJTIDMENQIVFBHS-UHFFFAOYSA-N
XLogP2.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 798505
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CID 16877078
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CID 71781218
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CID 742298
CID 742298
CID 2170934
CID 2170934
CID 4767758
CID 4767758
CID 4768940
CID 4768940
CID 4768978
CID 4768978
CID 4771033
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CID 4771067
CID 4771067
CID 4771428
CID 4771428

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 798544) is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is JTIDMENQIVFBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-7-5-10(19-22-7)17-11(21)6-20-9-4-2-3-8(9)12(18-20)13(14,15)16/h5H,2-4,6H2,1H3,(H,17,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 314.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 798544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).