3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane

C16H26N2O — CID 178008260

IUPAC3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane
SMILESCC.CC.Cc1cccc(Oc2c(C)n[nH]c2C)c1
InChIInChI=1S/C12H14N2O.2C2H6/c1-8-5-4-6-11(7-8)15-12-9(2)13-14-10(12)3;2*1-2/h4-7H,1-3H3,(H,13,14);2*1-2H3
InChIKeyYYEDRCWMLIGTQV-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.18
Rot. Bonds2

About 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane

3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane (PubChem CID 178008260) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane
PubChem CID178008260
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane
SMILESCC.CC.Cc1cccc(Oc2c(C)n[nH]c2C)c1
InChIInChI=1S/C12H14N2O.2C2H6/c1-8-5-4-6-11(7-8)15-12-9(2)13-14-10(12)3;2*1-2/h4-7H,1-3H3,(H,13,14);2*1-2H3
InChIKeyYYEDRCWMLIGTQV-UHFFFAOYSA-N
XLogP5.18
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane 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

1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
5-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 22337711
1,2,4-trimethyl-3-(3-methylphenoxy)benzene
CID 19792389
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
2-(3-methylphenoxy)pyrimidine
CID 20603792
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
2,3-bis(3-methylphenoxy)phenol
CID 139940679
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
4-(3-methylphenoxy)-1,2-thiazole
CID 117233619
3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 60700211
2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
CID 121014438
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane?
The IUPAC name of 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane (CID 178008260) is 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane.
What is the SMILES notation for 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane?
The canonical SMILES for 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane is CC.CC.Cc1cccc(Oc2c(C)n[nH]c2C)c1.
What is the InChIKey of 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane?
The InChIKey is YYEDRCWMLIGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.2C2H6/c1-8-5-4-6-11(7-8)15-12-9(2)13-14-10(12)3;2*1-2/h4-7H,1-3H3,(H,13,14);2*1-2H3.
What are the key properties of 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane?
3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane has a molecular weight of 262.40 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(3-methylphenoxy)-1H-pyrazole;ethane is sourced from PubChem (CID 178008260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).