[2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine

C12H13N3O — CID 105468604

IUPAC[2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
SMILESNCc1ccccc1-n1ncc2c1COC2
InChIInChI=1S/C12H13N3O/c13-5-9-3-1-2-4-11(9)15-12-8-16-7-10(12)6-14-15/h1-4,6H,5,7-8,13H2
InChIKeyJUUPJGICKMAUTJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.36
Rot. Bonds2

About [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine

[2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine (PubChem CID 105468604) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
PubChem CID105468604
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
SMILESNCc1ccccc1-n1ncc2c1COC2
InChIInChI=1S/C12H13N3O/c13-5-9-3-1-2-4-11(9)15-12-8-16-7-10(12)6-14-15/h1-4,6H,5,7-8,13H2
InChIKeyJUUPJGICKMAUTJ-UHFFFAOYSA-N
XLogP1.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
CID 105486775
1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 170067075
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
[2-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504565
[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862188
2-[2-(aminomethyl)phenyl]-5-methylpyrazol-3-amine
CID 84776867
2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105452879
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 62129889
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
[1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61368720
2-(5,7-dihydro-4H-thiopyrano[4,3-d]pyrazol-1-yl)aniline
CID 105490024

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine (CID 105468604) is [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine is NCc1ccccc1-n1ncc2c1COC2.
What is the InChIKey of [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
The InChIKey is JUUPJGICKMAUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-5-9-3-1-2-4-11(9)15-12-8-16-7-10(12)6-14-15/h1-4,6H,5,7-8,13H2.
What are the key properties of [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
[2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine has a molecular weight of 215.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 105468604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).