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

C13H15N3O — CID 105486775

IUPAC[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
SMILESCc1nn(-c2ccccc2CN)c2c1COC2
InChIInChI=1S/C13H15N3O/c1-9-11-7-17-8-13(11)16(15-9)12-5-3-2-4-10(12)6-14/h2-5H,6-8,14H2,1H3
InChIKeyWCLIQBBPWNUROE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.67
Rot. Bonds2

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

[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine (PubChem CID 105486775) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
PubChem CID105486775
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
SMILESCc1nn(-c2ccccc2CN)c2c1COC2
InChIInChI=1S/C13H15N3O/c1-9-11-7-17-8-13(11)16(15-9)12-5-3-2-4-10(12)6-14/h2-5H,6-8,14H2,1H3
InChIKeyWCLIQBBPWNUROE-UHFFFAOYSA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862188
[2-(4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
CID 105468604
2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
CID 105486767
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 62129889
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
2-[2-(aminomethyl)phenyl]-5-methylpyrazol-3-amine
CID 84776867
[1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862221
[2-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504565
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63816940
2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
CID 105480725
2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 105485759
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine (CID 105486775) is [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine is Cc1nn(-c2ccccc2CN)c2c1COC2.
What is the InChIKey of [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
The InChIKey is WCLIQBBPWNUROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-11-7-17-8-13(11)16(15-9)12-5-3-2-4-10(12)6-14/h2-5H,6-8,14H2,1H3.
What are the key properties of [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine?
[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 105486775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).