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

C11H12N4O2 — CID 116801891

IUPAC2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde
SMILESCC(C)n1cc(Oc2ncc(C=O)cn2)cn1
InChIInChI=1S/C11H12N4O2/c1-8(2)15-6-10(5-14-15)17-11-12-3-9(7-16)4-13-11/h3-8H,1-2H3
InChIKeyLKICXOGANOXFGS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.86
Rot. Bonds4

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

2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde (PubChem CID 116801891) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde
PubChem CID116801891
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde
SMILESCC(C)n1cc(Oc2ncc(C=O)cn2)cn1
InChIInChI=1S/C11H12N4O2/c1-8(2)15-6-10(5-14-15)17-11-12-3-9(7-16)4-13-11/h3-8H,1-2H3
InChIKeyLKICXOGANOXFGS-UHFFFAOYSA-N
XLogP1.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-propan-2-ylpyrazol-4-yl)oxyfuran-2-carbaldehyde
CID 116801890
2,4-dichloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazine
CID 116801169
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
(E)-3-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybut-2-enoic acid
CID 116799911
4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116801128
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305
4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
CID 116801148
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde?
The IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde (CID 116801891) is 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde is CC(C)n1cc(Oc2ncc(C=O)cn2)cn1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde?
The InChIKey is LKICXOGANOXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(2)15-6-10(5-14-15)17-11-12-3-9(7-16)4-13-11/h3-8H,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde?
2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde has a molecular weight of 232.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 116801891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).