N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide

C14H17N3O2S — CID 71808457

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1nc(CNC(=O)Cc2cccs2)c2c1CCOC2
InChIInChI=1S/C14H17N3O2S/c1-17-13-4-5-19-9-11(13)12(16-17)8-15-14(18)7-10-3-2-6-20-10/h2-3,6H,4-5,7-9H2,1H3,(H,15,18)
InChIKeyDYWWNDAJLWZPOH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.41
Rot. Bonds4

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 71808457) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID71808457
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1nc(CNC(=O)Cc2cccs2)c2c1CCOC2
InChIInChI=1S/C14H17N3O2S/c1-17-13-4-5-19-9-11(13)12(16-17)8-15-14(18)7-10-3-2-6-20-10/h2-3,6H,4-5,7-9H2,1H3,(H,15,18)
InChIKeyDYWWNDAJLWZPOH-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 71808457) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide is Cn1nc(CNC(=O)Cc2cccs2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is DYWWNDAJLWZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17-13-4-5-19-9-11(13)12(16-17)8-15-14(18)7-10-3-2-6-20-10/h2-3,6H,4-5,7-9H2,1H3,(H,15,18).
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71808457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).