N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C18H26F3N3O6S — CID 118743142

IUPACN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1OCCc2cn(CC3CCOCC3)nc21)C1CC1
InChIInChI=1S/C16H25N3O4S.C2HF3O2/c20-24(21,14-1-2-14)17-9-15-16-13(5-8-23-15)11-19(18-16)10-12-3-6-22-7-4-12;3-2(4,5)1(6)7/h11-12,14-15,17H,1-10H2;(H,6,7)
InChIKeyKLUXZRTYUMFHGW-UHFFFAOYSA-N
MW469.48 g/mol
LogP1.64
Rot. Bonds6

About N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 118743142) has the molecular formula C18H26F3N3O6S and a molecular weight of 469.48 g/mol. Its IUPAC name is N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID118743142
Molecular FormulaC18H26F3N3O6S
Molecular Weight469.48 g/mol
Exact Mass469.15
IUPAC NameN-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1OCCc2cn(CC3CCOCC3)nc21)C1CC1
InChIInChI=1S/C16H25N3O4S.C2HF3O2/c20-24(21,14-1-2-14)17-9-15-16-13(5-8-23-15)11-19(18-16)10-12-3-6-22-7-4-12;3-2(4,5)1(6)7/h11-12,14-15,17H,1-10H2;(H,6,7)
InChIKeyKLUXZRTYUMFHGW-UHFFFAOYSA-N
XLogP1.64
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 118743142) is N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(NCC1OCCc2cn(CC3CCOCC3)nc21)C1CC1.
What is the InChIKey of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is KLUXZRTYUMFHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.C2HF3O2/c20-24(21,14-1-2-14)17-9-15-16-13(5-8-23-15)11-19(18-16)10-12-3-6-22-7-4-12;3-2(4,5)1(6)7/h11-12,14-15,17H,1-10H2;(H,6,7).
What are the key properties of N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 469.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).