(7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole

C18H24N2O3S — CID 97367751

IUPAC(7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
SMILESc1cc(COC[C@@H]2OCCc3cn(CC4CCOCC4)nc32)cs1
InChIInChI=1S/C18H24N2O3S/c1-5-21-6-2-14(1)9-20-10-16-3-7-23-17(18(16)19-20)12-22-11-15-4-8-24-13-15/h4,8,10,13-14,17H,1-3,5-7,9,11-12H2/t17-/m0/s1
InChIKeyHLASZMHWGVHGLN-KRWDZBQOSA-N
MW348.47 g/mol
LogP3.20
Rot. Bonds6

About (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole

(7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole (PubChem CID 97367751) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole.

Molecular Properties

Compound Name(7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
PubChem CID97367751
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
SMILESc1cc(COC[C@@H]2OCCc3cn(CC4CCOCC4)nc32)cs1
InChIInChI=1S/C18H24N2O3S/c1-5-21-6-2-14(1)9-20-10-16-3-7-23-17(18(16)19-20)12-22-11-15-4-8-24-13-15/h4,8,10,13-14,17H,1-3,5-7,9,11-12H2/t17-/m0/s1
InChIKeyHLASZMHWGVHGLN-KRWDZBQOSA-N
XLogP3.20
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The IUPAC name of (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole (CID 97367751) is (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole.
What is the SMILES notation for (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The canonical SMILES for (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole is c1cc(COC[C@@H]2OCCc3cn(CC4CCOCC4)nc32)cs1.
What is the InChIKey of (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The InChIKey is HLASZMHWGVHGLN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-21-6-2-14(1)9-20-10-16-3-7-23-17(18(16)19-20)12-22-11-15-4-8-24-13-15/h4,8,10,13-14,17H,1-3,5-7,9,11-12H2/t17-/m0/s1.
What are the key properties of (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
(7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole has a molecular weight of 348.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(oxan-4-ylmethyl)-7-(thiophen-3-ylmethoxymethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole is sourced from PubChem (CID 97367751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).