3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole

C13H15ClN2O — CID 82087546

IUPAC3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole
SMILESCc1ccc(Cl)c(OCc2cc(C)n(C)n2)c1
InChIInChI=1S/C13H15ClN2O/c1-9-4-5-12(14)13(6-9)17-8-11-7-10(2)16(3)15-11/h4-7H,8H2,1-3H3
InChIKeySICPRGBGOKUAJT-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.27
Rot. Bonds3

About 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole

3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole (PubChem CID 82087546) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole
PubChem CID82087546
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole
SMILESCc1ccc(Cl)c(OCc2cc(C)n(C)n2)c1
InChIInChI=1S/C13H15ClN2O/c1-9-4-5-12(14)13(6-9)17-8-11-7-10(2)16(3)15-11/h4-7H,8H2,1-3H3
InChIKeySICPRGBGOKUAJT-UHFFFAOYSA-N
XLogP3.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole 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

1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
CID 82087938
[2-[(2-chloro-5-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259210
6-[(2-chloro-5-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 79238943
2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
CID 43245470
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39371989
1-[4-[(2-chloro-5-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62485881
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62484281
N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62485876
3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
CID 43509419
5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole
CID 82084148

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole?
The IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole (CID 82087546) is 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole.
What is the SMILES notation for 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole?
The canonical SMILES for 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole is Cc1ccc(Cl)c(OCc2cc(C)n(C)n2)c1.
What is the InChIKey of 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole?
The InChIKey is SICPRGBGOKUAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-4-5-12(14)13(6-9)17-8-11-7-10(2)16(3)15-11/h4-7H,8H2,1-3H3.
What are the key properties of 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole?
3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole has a molecular weight of 250.73 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole is sourced from PubChem (CID 82087546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).