2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

C12H13N3S — CID 2049323

IUPAC2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCc1ccc(-n2nc3c(c2N)CSC3)cc1
InChIInChI=1S/C12H13N3S/c1-8-2-4-9(5-3-8)15-12(13)10-6-16-7-11(10)14-15/h2-5H,6-7,13H2,1H3
InChIKeyOKOSZGFGHNBTFN-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.51
Rot. Bonds1

About 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 2049323) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID2049323
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESCc1ccc(-n2nc3c(c2N)CSC3)cc1
InChIInChI=1S/C12H13N3S/c1-8-2-4-9(5-3-8)15-12(13)10-6-16-7-11(10)14-15/h2-5H,6-7,13H2,1H3
InChIKeyOKOSZGFGHNBTFN-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 3340822
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4335648
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4462899
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5140889
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 5159937
3-methyl-N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butanamide
CID 756241
N-(2-(2,4-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160274

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 2049323) is 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is Cc1ccc(-n2nc3c(c2N)CSC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is OKOSZGFGHNBTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-2-4-9(5-3-8)15-12(13)10-6-16-7-11(10)14-15/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 231.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 2049323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).