1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide

C9H14N2OS — CID 122696837

IUPAC1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide
SMILESCC(C)n1ncc2c1S(=O)CCC2
InChIInChI=1S/C9H14N2OS/c1-7(2)11-9-8(6-10-11)4-3-5-13(9)12/h6-7H,3-5H2,1-2H3
InChIKeyDMHUMHRDJDOKDJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.52
Rot. Bonds1

About 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide

1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide (PubChem CID 122696837) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide.

Molecular Properties

Compound Name1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide
PubChem CID122696837
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide
SMILESCC(C)n1ncc2c1S(=O)CCC2
InChIInChI=1S/C9H14N2OS/c1-7(2)11-9-8(6-10-11)4-3-5-13(9)12/h6-7H,3-5H2,1-2H3
InChIKeyDMHUMHRDJDOKDJ-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067833
(6S)-6-cyclopropyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067834
(1R,9S)-4-propan-2-yl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene
CID 137067843
(1S,9R)-4-propan-2-yl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene
CID 137067842
(6S)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-6-carboxylic acid
CID 129375486
(E)-but-2-ene;6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 142338120
(6S)-6-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 137067823
(NZ)-N-(1-propan-2-yl-6,7-dihydro-5H-indazol-4-ylidene)hydroxylamine
CID 59401463
1-propan-2-yl-5,6,7,8-tetrahydropyrazolo[4,5-c]azepin-4-one
CID 155175833
1-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole
CID 122696776
4-chloro-2-methyl-5-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridazin-3-one
CID 167818128
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-one
CID 114663716

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide?
The IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide (CID 122696837) is 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide.
What is the SMILES notation for 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide?
The canonical SMILES for 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide is CC(C)n1ncc2c1S(=O)CCC2.
What is the InChIKey of 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide?
The InChIKey is DMHUMHRDJDOKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(2)11-9-8(6-10-11)4-3-5-13(9)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide?
1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide has a molecular weight of 198.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,6-dihydro-4H-thiopyrano[3,2-d]pyrazole 7-oxide is sourced from PubChem (CID 122696837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).