2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde

C12H10N2O3 — CID 105422340

IUPAC2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1-c1ccccc1O)COC2
InChIInChI=1S/C12H10N2O3/c15-5-11-8-6-17-7-9(8)13-14(11)10-3-1-2-4-12(10)16/h1-5,16H,6-7H2
InChIKeyIVFHRHBCBNXPNF-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.42
Rot. Bonds2

About 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde

2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde (PubChem CID 105422340) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde
PubChem CID105422340
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1-c1ccccc1O)COC2
InChIInChI=1S/C12H10N2O3/c15-5-11-8-6-17-7-9(8)13-14(11)10-3-1-2-4-12(10)16/h1-5,16H,6-7H2
InChIKeyIVFHRHBCBNXPNF-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde?
The IUPAC name of 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde (CID 105422340) is 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde?
The canonical SMILES for 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde is O=Cc1c2c(nn1-c1ccccc1O)COC2.
What is the InChIKey of 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde?
The InChIKey is IVFHRHBCBNXPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-5-11-8-6-17-7-9(8)13-14(11)10-3-1-2-4-12(10)16/h1-5,16H,6-7H2.
What are the key properties of 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde?
2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde has a molecular weight of 230.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105422340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).