N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide

C14H17N3O2S — CID 97367774

IUPACN-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCn1cc2c(n1)[C@H](CNC(=O)Cc1cccs1)OCC2
InChIInChI=1S/C14H17N3O2S/c1-17-9-10-4-5-19-12(14(10)16-17)8-15-13(18)7-11-3-2-6-20-11/h2-3,6,9,12H,4-5,7-8H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyCPHZLISAWLUYDY-LBPRGKRZSA-N
MW291.38 g/mol
LogP1.45
Rot. Bonds4

About N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide

N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 97367774) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID97367774
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCn1cc2c(n1)[C@H](CNC(=O)Cc1cccs1)OCC2
InChIInChI=1S/C14H17N3O2S/c1-17-9-10-4-5-19-12(14(10)16-17)8-15-13(18)7-11-3-2-6-20-11/h2-3,6,9,12H,4-5,7-8H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyCPHZLISAWLUYDY-LBPRGKRZSA-N
XLogP1.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide (CID 97367774) is N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide is Cn1cc2c(n1)[C@H](CNC(=O)Cc1cccs1)OCC2.
What is the InChIKey of N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is CPHZLISAWLUYDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17-9-10-4-5-19-12(14(10)16-17)8-15-13(18)7-11-3-2-6-20-11/h2-3,6,9,12H,4-5,7-8H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 97367774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).