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

C18H23N3O2S — CID 86264428

IUPACN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nn(C2CCCC2)c2c1COCC2
InChIInChI=1S/C18H23N3O2S/c22-18(10-14-6-3-9-24-14)19-11-16-15-12-23-8-7-17(15)21(20-16)13-4-1-2-5-13/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,19,22)
InChIKeyKVIHBEHVZBUULZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.99
Rot. Bonds5

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

N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 86264428) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID86264428
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nn(C2CCCC2)c2c1COCC2
InChIInChI=1S/C18H23N3O2S/c22-18(10-14-6-3-9-24-14)19-11-16-15-12-23-8-7-17(15)21(20-16)13-4-1-2-5-13/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,19,22)
InChIKeyKVIHBEHVZBUULZ-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 86264428) is N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1nn(C2CCCC2)c2c1COCC2.
What is the InChIKey of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is KVIHBEHVZBUULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-18(10-14-6-3-9-24-14)19-11-16-15-12-23-8-7-17(15)21(20-16)13-4-1-2-5-13/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,19,22).
What are the key properties of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 86264428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).