4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole

C16H22N2 — CID 153414844

IUPAC4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1cccc(CC)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C16H22N2/c1-5-13-8-7-9-14(6-2)16(13)15-10-17-18(11-15)12(3)4/h7-12H,5-6H2,1-4H3
InChIKeyPBTFQODTBJUJLG-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.26
Rot. Bonds4

About 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole

4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole (PubChem CID 153414844) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole
PubChem CID153414844
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole
SMILESCCc1cccc(CC)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C16H22N2/c1-5-13-8-7-9-14(6-2)16(13)15-10-17-18(11-15)12(3)4/h7-12H,5-6H2,1-4H3
InChIKeyPBTFQODTBJUJLG-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-diethyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153414805
4-naphthalen-1-yl-1-propan-2-ylpyrazole
CID 97034287
4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole
CID 153413929
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 171783811
2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 171364605
4-(1-propan-2-ylpyrazol-4-yl)naphthalen-1-ol
CID 171396888
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole
CID 153413693
2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 86659391
1-butan-2-yl-4-(3-iodophenyl)pyrazole
CID 79787415
4-[2-(bromomethyl)-6-chlorophenoxy]-1-propan-2-ylpyrazole
CID 114068060

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole (CID 153414844) is 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole is CCc1cccc(CC)c1-c1cnn(C(C)C)c1.
What is the InChIKey of 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole?
The InChIKey is PBTFQODTBJUJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-13-8-7-9-14(6-2)16(13)15-10-17-18(11-15)12(3)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole?
4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole has a molecular weight of 242.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 153414844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).