2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

C12H13N3S — CID 83871483

IUPAC2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccccc1)CSCC2
InChIInChI=1S/C12H13N3S/c13-12-10-6-7-16-8-11(10)14-15(12)9-4-2-1-3-5-9/h1-5H,6-8,13H2
InChIKeyRHJRPELMAYIAAB-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.24
Rot. Bonds1

About 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (PubChem CID 83871483) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
PubChem CID83871483
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccccc1)CSCC2
InChIInChI=1S/C12H13N3S/c13-12-10-6-7-16-8-11(10)14-15(12)9-4-2-1-3-5-9/h1-5H,6-8,13H2
InChIKeyRHJRPELMAYIAAB-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-amine
CID 83862528
2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465430
2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 122402968
2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465137
5-cyclohexyl-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907589
2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348458
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine
CID 79855907
2-chloro-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 5114556
4-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile
CID 65348648
2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
CID 58961033

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (CID 83871483) is 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is Nc1c2c(nn1-c1ccccc1)CSCC2.
What is the InChIKey of 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The InChIKey is RHJRPELMAYIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-12-10-6-7-16-8-11(10)14-15(12)9-4-2-1-3-5-9/h1-5H,6-8,13H2.
What are the key properties of 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine has a molecular weight of 231.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 83871483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).