2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

C12H11FN2OS — CID 83195838

IUPAC2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1Cc1ccc(F)cc1)CSC2
InChIInChI=1S/C12H11FN2OS/c13-9-3-1-8(2-4-9)5-15-12(16)10-6-17-7-11(10)14-15/h1-4,14H,5-7H2
InChIKeyVQRLPMLDLVNPTN-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.11
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (PubChem CID 83195838) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
PubChem CID83195838
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1Cc1ccc(F)cc1)CSC2
InChIInChI=1S/C12H11FN2OS/c13-9-3-1-8(2-4-9)5-15-12(16)10-6-17-7-11(10)14-15/h1-4,14H,5-7H2
InChIKeyVQRLPMLDLVNPTN-UHFFFAOYSA-N
XLogP2.11
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 132278423
3-amino-N-[(2,3-difluorophenyl)methyl]-4,5-dimethylidenethiophene-2-carboxamide
CID 124022438
5-(2-fluorophenyl)-2-(2-sulfanylethyl)-1H-pyrazol-3-one
CID 146590656
S-[2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]ethyl] ethanethioate
CID 147081201
1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-ol
CID 51054868
2-[(3R)-1,1-dioxothiolan-3-yl]-5-(4-fluorophenyl)-1H-pyrazol-3-one
CID 52322783
2-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluorophenyl)-1H-pyrazol-3-one
CID 52322784
5-ethyl-2-[(4-fluorophenyl)methyl]-4-methyl-1H-pyrazol-3-one
CID 66020285
2-[(4-fluorophenyl)methyl]-4,5-dimethyl-1H-pyrazol-3-one
CID 66020493
2-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-one
CID 66020494
2-[(3-fluorophenyl)methyl]-5-propyl-1H-pyrazol-3-one
CID 66020496
2-[(3-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazol-3-one
CID 66020697

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (CID 83195838) is 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1Cc1ccc(F)cc1)CSC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The InChIKey is VQRLPMLDLVNPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-9-3-1-8(2-4-9)5-15-12(16)10-6-17-7-11(10)14-15/h1-4,14H,5-7H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one has a molecular weight of 250.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83195838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).