N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C14H21N5O3S — CID 90615454

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H21N5O3S/c1-10-14(11(2)18(3)17-10)23(20,21)16-5-6-19-13-4-7-22-9-12(13)8-15-19/h8,16H,4-7,9H2,1-3H3
InChIKeyLWINTGPRNBXOAR-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.28
Rot. Bonds5

About N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 90615454) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID90615454
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H21N5O3S/c1-10-14(11(2)18(3)17-10)23(20,21)16-5-6-19-13-4-7-22-9-12(13)8-15-19/h8,16H,4-7,9H2,1-3H3
InChIKeyLWINTGPRNBXOAR-UHFFFAOYSA-N
XLogP0.28
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 90615454) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ncc2c1CCOC2.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is LWINTGPRNBXOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-10-14(11(2)18(3)17-10)23(20,21)16-5-6-19-13-4-7-22-9-12(13)8-15-19/h8,16H,4-7,9H2,1-3H3.
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 90615454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).