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

C14H17N3O2S — CID 90615113

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H17N3O2S/c18-14(8-12-2-1-7-20-12)15-4-5-17-13-3-6-19-10-11(13)9-16-17/h1-2,7,9H,3-6,8,10H2,(H,15,18)
InChIKeySCHZHGXFAUQBCS-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.38
Rot. Bonds5

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

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 90615113) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID90615113
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ncc2c1CCOC2
InChIInChI=1S/C14H17N3O2S/c18-14(8-12-2-1-7-20-12)15-4-5-17-13-3-6-19-10-11(13)9-16-17/h1-2,7,9H,3-6,8,10H2,(H,15,18)
InChIKeySCHZHGXFAUQBCS-UHFFFAOYSA-N
XLogP1.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 90615127
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90615276
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]pent-4-enamide
CID 90615084
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea
CID 90615402
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-pentan-3-ylurea
CID 90615401
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylbenzamide
CID 90615148
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-ethylsulfanylbenzamide
CID 90615201
N-[2-(3-oxomorpholin-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110722581
1-[(4-chlorophenyl)methyl]-3-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]urea
CID 90615429
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 71808457
N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 119102947

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 90615113) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1ncc2c1CCOC2.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is SCHZHGXFAUQBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-14(8-12-2-1-7-20-12)15-4-5-17-13-3-6-19-10-11(13)9-16-17/h1-2,7,9H,3-6,8,10H2,(H,15,18).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 90615113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).