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

C11H10FN3S — CID 2049414

IUPAC2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C11H10FN3S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6,13H2
InChIKeyUBUYYBPAEDQPJJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.34
Rot. Bonds1

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

2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (PubChem CID 2049414) has the molecular formula C11H10FN3S and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
PubChem CID2049414
Molecular FormulaC11H10FN3S
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C11H10FN3S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6,13H2
InChIKeyUBUYYBPAEDQPJJ-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2380354
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
CID 756242
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
2,2-dimethyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
CID 4116919
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 5204594
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
CID 5222682
5-Amino-3-cyanomethyl-1-(4-fluoro-phenyl)-1H-pyrazole-4-carbonitrile
CID 2444887

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine (CID 2049414) is 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is Nc1c2c(nn1-c1ccc(F)cc1)CSC2.
What is the InChIKey of 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
The InChIKey is UBUYYBPAEDQPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3S/c12-7-1-3-8(4-2-7)15-11(13)9-5-16-6-10(9)14-15/h1-4H,5-6,13H2.
What are the key properties of 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine?
2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine has a molecular weight of 235.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 2049414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).