2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

C11H11N3S — CID 2049317

IUPAC2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C11H11N3S/c12-11-9-6-15-7-10(9)13-14(11)8-4-2-1-3-5-8/h1-5H,6-7,12H2
InChIKeyPVKVTEYRFBNYMQ-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.20
Rot. Bonds1

About 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine

2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 2049317) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID2049317
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C11H11N3S/c12-11-9-6-15-7-10(9)13-14(11)8-4-2-1-3-5-8/h1-5H,6-7,12H2
InChIKeyPVKVTEYRFBNYMQ-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 219858
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-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 5159937
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4075206
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 4110361

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 2049317) is 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is PVKVTEYRFBNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c12-11-9-6-15-7-10(9)13-14(11)8-4-2-1-3-5-8/h1-5H,6-7,12H2.
What are the key properties of 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 217.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 2049317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).