5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde

C11H12N2O3 — CID 116801890

IUPAC5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde
SMILESCC(C)n1cc(Oc2ccc(C=O)o2)cn1
InChIInChI=1S/C11H12N2O3/c1-8(2)13-6-10(5-12-13)16-11-4-3-9(7-14)15-11/h3-8H,1-2H3
InChIKeyCAYDXWUCZVZNFB-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.66
Rot. Bonds4

About 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde

5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde (PubChem CID 116801890) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde
PubChem CID116801890
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde
SMILESCC(C)n1cc(Oc2ccc(C=O)o2)cn1
InChIInChI=1S/C11H12N2O3/c1-8(2)13-6-10(5-12-13)16-11-4-3-9(7-14)15-11/h3-8H,1-2H3
InChIKeyCAYDXWUCZVZNFB-UHFFFAOYSA-N
XLogP2.66
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde
CID 116801891
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267
2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid
CID 116800857
2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
CID 116801169
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519
3-(5-formylfuran-2-yl)oxy-5-methoxybenzonitrile
CID 103567886
6-methyl-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 116804006
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
N-[4-(5-formylfuran-2-yl)oxyphenyl]acetamide
CID 12610990
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde
CID 79116560

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde?
The IUPAC name of 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde (CID 116801890) is 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde.
What is the SMILES notation for 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde?
The canonical SMILES for 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde is CC(C)n1cc(Oc2ccc(C=O)o2)cn1.
What is the InChIKey of 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde?
The InChIKey is CAYDXWUCZVZNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(2)13-6-10(5-12-13)16-11-4-3-9(7-14)15-11/h3-8H,1-2H3.
What are the key properties of 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde?
5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde has a molecular weight of 220.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde is sourced from PubChem (CID 116801890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).