4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole

C18H26N2 — CID 153415039

IUPAC4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole
SMILESCCc1nn(C(C)C)c(CC)c1-c1cc(C)cc(C)c1
InChIInChI=1S/C18H26N2/c1-7-16-18(15-10-13(5)9-14(6)11-15)17(8-2)20(19-16)12(3)4/h9-12H,7-8H2,1-6H3
InChIKeyXLEICDDACINMQS-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.87
Rot. Bonds4

About 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole

4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole (PubChem CID 153415039) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole
PubChem CID153415039
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole
SMILESCCc1nn(C(C)C)c(CC)c1-c1cc(C)cc(C)c1
InChIInChI=1S/C18H26N2/c1-7-16-18(15-10-13(5)9-14(6)11-15)17(8-2)20(19-16)12(3)4/h9-12H,7-8H2,1-6H3
InChIKeyXLEICDDACINMQS-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-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

3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole
CID 153416742
3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153416741
4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 153415138
4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium
CID 153448070
3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole
CID 153441794
3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole;3,5-diethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)pyrazole;3,5-diethyl-1-propan-2-yl-4-(2,4,6-trimethylphenyl)pyrazole;3,5-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole;4-(2,6-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole;4-(2,6-dimethylphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole;bis(3,5-dimethyl-1-propan-2-yl-4-(2,3,4,6-tetramethylphenyl)pyrazole);3,5-dimethyl-1-propan-2-yl-4-(2,3,5,6-tetramethylphenyl)pyrazole;bis(3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole);3,5-dimethyl-1-propan-2-yl-4-(2,4,6-trimethylphenyl)pyrazole;dodecakis(palladium)
CID 160638541
1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
CID 82698096
N-[1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 82698286
4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline
CID 82702746
ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine
CID 156792933
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82590512

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole (CID 153415039) is 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole is CCc1nn(C(C)C)c(CC)c1-c1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole?
The InChIKey is XLEICDDACINMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-7-16-18(15-10-13(5)9-14(6)11-15)17(8-2)20(19-16)12(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole?
4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole has a molecular weight of 270.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 153415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).