(5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde

C17H28N2O — CID 764075

IUPAC(5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde
SMILESCC(C)=CCCC1=NN(C=O)[C@](C)(CCC=C(C)C)C1
InChIInChI=1S/C17H28N2O/c1-14(2)8-6-10-16-12-17(5,19(13-20)18-16)11-7-9-15(3)4/h8-9,13H,6-7,10-12H2,1-5H3/t17-/m1/s1
InChIKeyXCJIPKCPRKVCIN-QGZVFWFLSA-N
MW276.42 g/mol
LogP4.46
Rot. Bonds7

About (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde

(5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde (PubChem CID 764075) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde
PubChem CID764075
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde
SMILESCC(C)=CCCC1=NN(C=O)[C@](C)(CCC=C(C)C)C1
InChIInChI=1S/C17H28N2O/c1-14(2)8-6-10-16-12-17(5,19(13-20)18-16)11-7-9-15(3)4/h8-9,13H,6-7,10-12H2,1-5H3/t17-/m1/s1
InChIKeyXCJIPKCPRKVCIN-QGZVFWFLSA-N
XLogP4.46
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde?
The IUPAC name of (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde (CID 764075) is (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde.
What is the SMILES notation for (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde?
The canonical SMILES for (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde is CC(C)=CCCC1=NN(C=O)[C@](C)(CCC=C(C)C)C1.
What is the InChIKey of (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde?
The InChIKey is XCJIPKCPRKVCIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)8-6-10-16-12-17(5,19(13-20)18-16)11-7-9-15(3)4/h8-9,13H,6-7,10-12H2,1-5H3/t17-/m1/s1.
What are the key properties of (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde?
(5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde has a molecular weight of 276.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3,5-bis(4-methylpent-3-enyl)-4H-pyrazole-1-carbaldehyde is sourced from PubChem (CID 764075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).