1-(2-ethylphenyl)-3,5-dimethylpyrazole

C13H16N2 — CID 39240354

IUPAC1-(2-ethylphenyl)-3,5-dimethylpyrazole
SMILESCCc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C13H16N2/c1-4-12-7-5-6-8-13(12)15-11(3)9-10(2)14-15/h5-9H,4H2,1-3H3
InChIKeyNEIWBDZVBLQEKO-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.05
Rot. Bonds2

About 1-(2-ethylphenyl)-3,5-dimethylpyrazole

1-(2-ethylphenyl)-3,5-dimethylpyrazole (PubChem CID 39240354) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3,5-dimethylpyrazole
PubChem CID39240354
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(2-ethylphenyl)-3,5-dimethylpyrazole
SMILESCCc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C13H16N2/c1-4-12-7-5-6-8-13(12)15-11(3)9-10(2)14-15/h5-9H,4H2,1-3H3
InChIKeyNEIWBDZVBLQEKO-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
2-[1-(2-ethylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82080830
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
CID 167792453
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-ethylphenyl)-3,5-dimethylpyrazole (CID 39240354) is 1-(2-ethylphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-ethylphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-ethylphenyl)-3,5-dimethylpyrazole is CCc1ccccc1-n1nc(C)cc1C.
What is the InChIKey of 1-(2-ethylphenyl)-3,5-dimethylpyrazole?
The InChIKey is NEIWBDZVBLQEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-12-7-5-6-8-13(12)15-11(3)9-10(2)14-15/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-3,5-dimethylpyrazole?
1-(2-ethylphenyl)-3,5-dimethylpyrazole has a molecular weight of 200.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 39240354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).