ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole

C15H22N2 — CID 91061199

IUPACethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole
SMILESCC.CCc1c(C)cnn1-c1ccc(C)cc1
InChIInChI=1S/C13H16N2.C2H6/c1-4-13-11(3)9-14-15(13)12-7-5-10(2)6-8-12;1-2/h5-9H,4H2,1-3H3;1-2H3
InChIKeyICGOXBKJEZQXIN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.08
Rot. Bonds2

About ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole

ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole (PubChem CID 91061199) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Nameethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole
PubChem CID91061199
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Nameethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole
SMILESCC.CCc1c(C)cnn1-c1ccc(C)cc1
InChIInChI=1S/C13H16N2.C2H6/c1-4-13-11(3)9-14-15(13)12-7-5-10(2)6-8-12;1-2/h5-9H,4H2,1-3H3;1-2H3
InChIKeyICGOXBKJEZQXIN-UHFFFAOYSA-N
XLogP4.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole 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

1-(4-bromophenyl)-5-ethyl-4-methylpyrazole
CID 166934661
1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine
CID 117210560
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032
4-(bromomethyl)-1-(4-bromophenyl)-5-ethylpyrazole
CID 66439260
[1-(4-chlorophenyl)-4-methylpyrazol-5-yl]methanol
CID 54505304
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 75355917
4-(bromomethyl)-1-(3-chloro-4-methylphenyl)-5-ethylpyrazole
CID 66438579
N-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 66439641
4-(bromomethyl)-5-ethyl-1-(4-methoxyphenyl)pyrazole
CID 66439466

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole?
The IUPAC name of ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole (CID 91061199) is ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole?
The canonical SMILES for ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole is CC.CCc1c(C)cnn1-c1ccc(C)cc1.
What is the InChIKey of ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole?
The InChIKey is ICGOXBKJEZQXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-4-13-11(3)9-14-15(13)12-7-5-10(2)6-8-12;1-2/h5-9H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole?
ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole has a molecular weight of 230.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-4-methyl-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 91061199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).