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

C13H15N3O — CID 83862188

IUPAC[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESCc1ccccc1-n1nc(CN)c2c1COC2
InChIInChI=1S/C13H15N3O/c1-9-4-2-3-5-12(9)16-13-8-17-7-10(13)11(6-14)15-16/h2-5H,6-8,14H2,1H3
InChIKeyHQMYBUVTPFWFFO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.67
Rot. Bonds2

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

[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (PubChem CID 83862188) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
PubChem CID83862188
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESCc1ccccc1-n1nc(CN)c2c1COC2
InChIInChI=1S/C13H15N3O/c1-9-4-2-3-5-12(9)16-13-8-17-7-10(13)11(6-14)15-16/h2-5H,6-8,14H2,1H3
InChIKeyHQMYBUVTPFWFFO-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-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862221
[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
CID 105486775
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine
CID 105422314
2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
CID 105486767
1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 83863008
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 105498006
1-(2-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 170067075
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119486710
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The IUPAC name of [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (CID 83862188) is [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is Cc1ccccc1-n1nc(CN)c2c1COC2.
What is the InChIKey of [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The InChIKey is HQMYBUVTPFWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-2-3-5-12(9)16-13-8-17-7-10(13)11(6-14)15-16/h2-5H,6-8,14H2,1H3.
What are the key properties of [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]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 [1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is sourced from PubChem (CID 83862188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).