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

C18H23N3O2S — CID 71808497

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCn1nc(CNC(=O)C2(c3cccs3)CCCC2)c2c1CCOC2
InChIInChI=1S/C18H23N3O2S/c1-21-15-6-9-23-12-13(15)14(20-21)11-19-17(22)18(7-2-3-8-18)16-5-4-10-24-16/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,22)
InChIKeyVSLYRIXMIURWAX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.68
Rot. Bonds4

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

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71808497) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71808497
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCn1nc(CNC(=O)C2(c3cccs3)CCCC2)c2c1CCOC2
InChIInChI=1S/C18H23N3O2S/c1-21-15-6-9-23-12-13(15)14(20-21)11-19-17(22)18(7-2-3-8-18)16-5-4-10-24-16/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,22)
InChIKeyVSLYRIXMIURWAX-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.68
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]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71808497) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is Cn1nc(CNC(=O)C2(c3cccs3)CCCC2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is VSLYRIXMIURWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21-15-6-9-23-12-13(15)14(20-21)11-19-17(22)18(7-2-3-8-18)16-5-4-10-24-16/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.68, 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]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71808497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).