[1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine

C12H12FN3O — CID 83862222

IUPAC[1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESNCc1nn(-c2ccc(F)cc2)c2c1COC2
InChIInChI=1S/C12H12FN3O/c13-8-1-3-9(4-2-8)16-12-7-17-6-10(12)11(5-14)15-16/h1-4H,5-7,14H2
InChIKeyLRZURPLLCVBASS-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.50
Rot. Bonds2

About [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine

[1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (PubChem CID 83862222) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
PubChem CID83862222
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESNCc1nn(-c2ccc(F)cc2)c2c1COC2
InChIInChI=1S/C12H12FN3O/c13-8-1-3-9(4-2-8)16-12-7-17-6-10(12)11(5-14)15-16/h1-4H,5-7,14H2
InChIKeyLRZURPLLCVBASS-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862221
1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 83868838
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 82421897
3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 155957185
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 83862705
4-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenol
CID 105469602
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 71879525
[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 105498006
[5-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)triazol-4-yl]methanamine
CID 71692518
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 166232098

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (CID 83862222) is [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is NCc1nn(-c2ccc(F)cc2)c2c1COC2.
What is the InChIKey of [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The InChIKey is LRZURPLLCVBASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-8-1-3-9(4-2-8)16-12-7-17-6-10(12)11(5-14)15-16/h1-4H,5-7,14H2.
What are the key properties of [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
[1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine has a molecular weight of 233.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is sourced from PubChem (CID 83862222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).