N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid

C17H23F3N4O5 — CID 154888138

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)CN1CCOC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O3.C2HF3O2/c1-18(14(20)10-19-7-8-22-15(19)21)9-13-11-5-3-2-4-6-12(11)16-17-13;3-2(4,5)1(6)7/h2-10H2,1H3,(H,16,17);(H,6,7)
InChIKeyYTFSMHRBVGEDSX-UHFFFAOYSA-N
MW420.39 g/mol
LogP1.72
Rot. Bonds4

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 154888138) has the molecular formula C17H23F3N4O5 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID154888138
Molecular FormulaC17H23F3N4O5
Molecular Weight420.39 g/mol
Exact Mass420.16
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)CN1CCOC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O3.C2HF3O2/c1-18(14(20)10-19-7-8-22-15(19)21)9-13-11-5-3-2-4-6-12(11)16-17-13;3-2(4,5)1(6)7/h2-10H2,1H3,(H,16,17);(H,6,7)
InChIKeyYTFSMHRBVGEDSX-UHFFFAOYSA-N
XLogP1.72
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid (CID 154888138) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid is CN(Cc1n[nH]c2c1CCCCC2)C(=O)CN1CCOC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is YTFSMHRBVGEDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.C2HF3O2/c1-18(14(20)10-19-7-8-22-15(19)21)9-13-11-5-3-2-4-6-12(11)16-17-13;3-2(4,5)1(6)7/h2-10H2,1H3,(H,16,17);(H,6,7).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 420.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).