5-(2,4-dichlorophenoxy)-1-methylpyrazole

C10H8Cl2N2O — CID 173078068

IUPAC5-(2,4-dichlorophenoxy)-1-methylpyrazole
SMILESCn1nccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-14-10(4-5-13-14)15-9-3-2-7(11)6-8(9)12/h2-6H,1H3
InChIKeyOGRAKFKLPAEERO-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.52
Rot. Bonds2

About 5-(2,4-dichlorophenoxy)-1-methylpyrazole

5-(2,4-dichlorophenoxy)-1-methylpyrazole (PubChem CID 173078068) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 5-(2,4-dichlorophenoxy)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenoxy)-1-methylpyrazole
PubChem CID173078068
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name5-(2,4-dichlorophenoxy)-1-methylpyrazole
SMILESCn1nccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-14-10(4-5-13-14)15-9-3-2-7(11)6-8(9)12/h2-6H,1H3
InChIKeyOGRAKFKLPAEERO-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
7-(2,4-dichlorophenoxy)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18100702
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
CID 102565571
4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole
CID 28964844
2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
CID 13059758
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
S-[5-chloro-6-(2-methylpyrazol-3-yl)oxy-3-pyridinyl] ethanethioate
CID 86634282
3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
CID 55168913
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methylidene]hydroxylamine
CID 171985291
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenoxy)-1-methylpyrazole?
The IUPAC name of 5-(2,4-dichlorophenoxy)-1-methylpyrazole (CID 173078068) is 5-(2,4-dichlorophenoxy)-1-methylpyrazole.
What is the SMILES notation for 5-(2,4-dichlorophenoxy)-1-methylpyrazole?
The canonical SMILES for 5-(2,4-dichlorophenoxy)-1-methylpyrazole is Cn1nccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenoxy)-1-methylpyrazole?
The InChIKey is OGRAKFKLPAEERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-14-10(4-5-13-14)15-9-3-2-7(11)6-8(9)12/h2-6H,1H3.
What are the key properties of 5-(2,4-dichlorophenoxy)-1-methylpyrazole?
5-(2,4-dichlorophenoxy)-1-methylpyrazole has a molecular weight of 243.09 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenoxy)-1-methylpyrazole is sourced from PubChem (CID 173078068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).