3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole

C17H24N2 — CID 153441794

IUPAC3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole
SMILESCCCc1c(-c2ccccc2)c(CC)nn1C(C)C
InChIInChI=1S/C17H24N2/c1-5-10-16-17(14-11-8-7-9-12-14)15(6-2)18-19(16)13(3)4/h7-9,11-13H,5-6,10H2,1-4H3
InChIKeyWBEJUVFPUQVJKW-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.65
Rot. Bonds5

About 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole

3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole (PubChem CID 153441794) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole.

Molecular Properties

Compound Name3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole
PubChem CID153441794
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole
SMILESCCCc1c(-c2ccccc2)c(CC)nn1C(C)C
InChIInChI=1S/C17H24N2/c1-5-10-16-17(14-11-8-7-9-12-14)15(6-2)18-19(16)13(3)4/h7-9,11-13H,5-6,10H2,1-4H3
InChIKeyWBEJUVFPUQVJKW-UHFFFAOYSA-N
XLogP4.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole
CID 153415039
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-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole
CID 10539282
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
3,5-diethyl-1-(1-phenylethyl)pyrazol-4-amine
CID 82702115
3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol
CID 166082944
N-[1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 82698286
ethane;3-ethyl-1-methyl-5-phenyl-4-propan-2-ylpyrazole
CID 154685645
5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
CID 90162115
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
CID 82207030
2-ethyl-6-methyl-3,4,5-triphenylpyridine
CID 67766803

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole?
The IUPAC name of 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole (CID 153441794) is 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole.
What is the SMILES notation for 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole?
The canonical SMILES for 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole is CCCc1c(-c2ccccc2)c(CC)nn1C(C)C.
What is the InChIKey of 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole?
The InChIKey is WBEJUVFPUQVJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-10-16-17(14-11-8-7-9-12-14)15(6-2)18-19(16)13(3)4/h7-9,11-13H,5-6,10H2,1-4H3.
What are the key properties of 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole?
3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole has a molecular weight of 256.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole is sourced from PubChem (CID 153441794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).