1,4-dimethyl-5-nonan-3-ylpyrazole

C14H26N2 — CID 138654600

IUPAC1,4-dimethyl-5-nonan-3-ylpyrazole
SMILESCCCCCCC(CC)c1c(C)cnn1C
InChIInChI=1S/C14H26N2/c1-5-7-8-9-10-13(6-2)14-12(3)11-15-16(14)4/h11,13H,5-10H2,1-4H3
InChIKeyKJSXDOUPIHXTDA-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.19
Rot. Bonds7

About 1,4-dimethyl-5-nonan-3-ylpyrazole

1,4-dimethyl-5-nonan-3-ylpyrazole (PubChem CID 138654600) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1,4-dimethyl-5-nonan-3-ylpyrazole.

Molecular Properties

Compound Name1,4-dimethyl-5-nonan-3-ylpyrazole
PubChem CID138654600
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1,4-dimethyl-5-nonan-3-ylpyrazole
SMILESCCCCCCC(CC)c1c(C)cnn1C
InChIInChI=1S/C14H26N2/c1-5-7-8-9-10-13(6-2)14-12(3)11-15-16(14)4/h11,13H,5-10H2,1-4H3
InChIKeyKJSXDOUPIHXTDA-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-5-nonan-3-ylpyrazole 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

4,5-dimethyl-2-nonan-3-ylpyridine
CID 170346032
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
1-methyl-2-nonan-3-ylimidazole
CID 138628571
1-decan-3-yl-2-methylbenzene
CID 152506171
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-nonan-3-ylpyrazole?
The IUPAC name of 1,4-dimethyl-5-nonan-3-ylpyrazole (CID 138654600) is 1,4-dimethyl-5-nonan-3-ylpyrazole.
What is the SMILES notation for 1,4-dimethyl-5-nonan-3-ylpyrazole?
The canonical SMILES for 1,4-dimethyl-5-nonan-3-ylpyrazole is CCCCCCC(CC)c1c(C)cnn1C.
What is the InChIKey of 1,4-dimethyl-5-nonan-3-ylpyrazole?
The InChIKey is KJSXDOUPIHXTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-7-8-9-10-13(6-2)14-12(3)11-15-16(14)4/h11,13H,5-10H2,1-4H3.
What are the key properties of 1,4-dimethyl-5-nonan-3-ylpyrazole?
1,4-dimethyl-5-nonan-3-ylpyrazole has a molecular weight of 222.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-nonan-3-ylpyrazole is sourced from PubChem (CID 138654600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).