3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole

C21H32N2 — CID 153416742

IUPAC3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1nn(C(C)C)c(CC)c1-c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C21H32N2/c1-10-18-21(19(11-2)23(22-18)12(3)4)20-16(8)14(6)13(5)15(7)17(20)9/h12H,10-11H2,1-9H3
InChIKeyNLOWXHQUCGNNOP-UHFFFAOYSA-N
MW312.50 g/mol
LogP5.80
Rot. Bonds4

About 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole

3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole (PubChem CID 153416742) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole
PubChem CID153416742
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1nn(C(C)C)c(CC)c1-c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C21H32N2/c1-10-18-21(19(11-2)23(22-18)12(3)4)20-16(8)14(6)13(5)15(7)17(20)9/h12H,10-11H2,1-9H3
InChIKeyNLOWXHQUCGNNOP-UHFFFAOYSA-N
XLogP5.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153416741
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;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
3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole
CID 153441794
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
ethane;3-ethyl-5-methyl-1-propan-2-ylpyrazol-4-amine
CID 156792933
3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82590512
4-(1-chloropropyl)-3,5-diethyl-1-pentan-3-ylpyrazole
CID 82700632
3,5-diethyl-1,4-dimethylpyrazole
CID 44720131
1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
CID 82699939
4-(chloromethyl)-3,5-diethyl-1-pentan-3-ylpyrazole
CID 82700486

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole (CID 153416742) is 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole is CCc1nn(C(C)C)c(CC)c1-c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole?
The InChIKey is NLOWXHQUCGNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-10-18-21(19(11-2)23(22-18)12(3)4)20-16(8)14(6)13(5)15(7)17(20)9/h12H,10-11H2,1-9H3.
What are the key properties of 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole?
3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole has a molecular weight of 312.50 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 153416742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).