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

C13H15N3O — CID 83862221

IUPAC[1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESCc1ccc(-n2nc(CN)c3c2COC3)cc1
InChIInChI=1S/C13H15N3O/c1-9-2-4-10(5-3-9)16-13-8-17-7-11(13)12(6-14)15-16/h2-5H,6-8,14H2,1H3
InChIKeyCXQSDGKYLWHSDK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.67
Rot. Bonds2

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

[1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (PubChem CID 83862221) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
PubChem CID83862221
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESCc1ccc(-n2nc(CN)c3c2COC3)cc1
InChIInChI=1S/C13H15N3O/c1-9-2-4-10(5-3-9)16-13-8-17-7-11(13)12(6-14)15-16/h2-5H,6-8,14H2,1H3
InChIKeyCXQSDGKYLWHSDK-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-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862222
[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862188
4-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenol
CID 105469602
1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 83868838
[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 105498006
[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 117124151
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521520
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 21090692
[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 107447423
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (CID 83862221) is [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is Cc1ccc(-n2nc(CN)c3c2COC3)cc1.
What is the InChIKey of [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The InChIKey is CXQSDGKYLWHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-2-4-10(5-3-9)16-13-8-17-7-11(13)12(6-14)15-16/h2-5H,6-8,14H2,1H3.
What are the key properties of [1-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
[1-(4-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-(4-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is sourced from PubChem (CID 83862221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).