2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde

C12H16N2OS — CID 105498171

IUPAC2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCCC1)CSCC2
InChIInChI=1S/C12H16N2OS/c15-7-12-10-5-6-16-8-11(10)13-14(12)9-3-1-2-4-9/h7,9H,1-6,8H2
InChIKeySCVMWWIXFDDRSV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.60
Rot. Bonds2

About 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde

2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde (PubChem CID 105498171) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
PubChem CID105498171
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCCC1)CSCC2
InChIInChI=1S/C12H16N2OS/c15-7-12-10-5-6-16-8-11(10)13-14(12)9-3-1-2-4-9/h7,9H,1-6,8H2
InChIKeySCVMWWIXFDDRSV-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105462104
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105475688
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821
2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105494791
2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105497694
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105496416
2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465137
2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
CID 58961033
2-[(1-cyclopentylazetidin-3-yl)methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929025
3-cycloheptyl-5-ethyltriazole-4-carbaldehyde
CID 105478077

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde?
The IUPAC name of 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde (CID 105498171) is 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde?
The canonical SMILES for 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde is O=Cc1c2c(nn1C1CCCC1)CSCC2.
What is the InChIKey of 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde?
The InChIKey is SCVMWWIXFDDRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-7-12-10-5-6-16-8-11(10)13-14(12)9-3-1-2-4-9/h7,9H,1-6,8H2.
What are the key properties of 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde?
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde has a molecular weight of 236.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105498171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).