2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde

C10H12N2OS — CID 105462104

IUPAC2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CC1)CCSC2
InChIInChI=1S/C10H12N2OS/c13-5-10-8-6-14-4-3-9(8)11-12(10)7-1-2-7/h5,7H,1-4,6H2
InChIKeyBJGUYGDGQGZQJW-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.82
Rot. Bonds2

About 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde

2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde (PubChem CID 105462104) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
PubChem CID105462104
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CC1)CCSC2
InChIInChI=1S/C10H12N2OS/c13-5-10-8-6-14-4-3-9(8)11-12(10)7-1-2-7/h5,7H,1-4,6H2
InChIKeyBJGUYGDGQGZQJW-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.82
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-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
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-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
7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde
CID 83914942
2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
CID 105440802
1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
CID 105499492
2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465137

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde?
The IUPAC name of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde (CID 105462104) is 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde is O=Cc1c2c(nn1C1CC1)CCSC2.
What is the InChIKey of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde?
The InChIKey is BJGUYGDGQGZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-5-10-8-6-14-4-3-9(8)11-12(10)7-1-2-7/h5,7H,1-4,6H2.
What are the key properties of 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde?
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde has a molecular weight of 208.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105462104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).