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

C17H23N3O3S — CID 154579107

IUPAC3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOCCn1nc(CCC(=O)NCc2cccs2)c2c1CCOC2
InChIInChI=1S/C17H23N3O3S/c1-22-9-7-20-16-6-8-23-12-14(16)15(19-20)4-5-17(21)18-11-13-3-2-10-24-13/h2-3,10H,4-9,11-12H2,1H3,(H,18,21)
InChIKeyBZOHPAXYDBCSKD-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.91
Rot. Bonds8

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

3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 154579107) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID154579107
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCOCCn1nc(CCC(=O)NCc2cccs2)c2c1CCOC2
InChIInChI=1S/C17H23N3O3S/c1-22-9-7-20-16-6-8-23-12-14(16)15(19-20)4-5-17(21)18-11-13-3-2-10-24-13/h2-3,10H,4-9,11-12H2,1H3,(H,18,21)
InChIKeyBZOHPAXYDBCSKD-UHFFFAOYSA-N
XLogP1.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide
CID 154579102
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 71808457
N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154578982
3-chloro-4-fluoro-N-[2-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]benzamide
CID 146073485
3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 172908850
3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 91841240
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154579004
N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154578957
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 90615113
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 154579107) is 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide is COCCn1nc(CCC(=O)NCc2cccs2)c2c1CCOC2.
What is the InChIKey of 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is BZOHPAXYDBCSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-22-9-7-20-16-6-8-23-12-14(16)15(19-20)4-5-17(21)18-11-13-3-2-10-24-13/h2-3,10H,4-9,11-12H2,1H3,(H,18,21).
What are the key properties of 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 154579107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).