3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde

C15H22N4O — CID 64785210

IUPAC3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
SMILESCCC(CC)n1ccc(Cn2nc(C)c(C=O)c2C)n1
InChIInChI=1S/C15H22N4O/c1-5-14(6-2)18-8-7-13(17-18)9-19-12(4)15(10-20)11(3)16-19/h7-8,10,14H,5-6,9H2,1-4H3
InChIKeyFIBKMCLVJNZXAM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.92
Rot. Bonds6

About 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde

3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde (PubChem CID 64785210) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
PubChem CID64785210
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
SMILESCCC(CC)n1ccc(Cn2nc(C)c(C=O)c2C)n1
InChIInChI=1S/C15H22N4O/c1-5-14(6-2)18-8-7-13(17-18)9-19-12(4)15(10-20)11(3)16-19/h7-8,10,14H,5-6,9H2,1-4H3
InChIKeyFIBKMCLVJNZXAM-UHFFFAOYSA-N
XLogP2.92
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
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 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde (CID 64785210) is 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde is CCC(CC)n1ccc(Cn2nc(C)c(C=O)c2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is FIBKMCLVJNZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-14(6-2)18-8-7-13(17-18)9-19-12(4)15(10-20)11(3)16-19/h7-8,10,14H,5-6,9H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde?
3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 274.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 64785210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).