5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole

C14H17ClN2O — CID 54920811

IUPAC5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCc1ccc(OCc2c(C)nn(C)c2Cl)c(C)c1
InChIInChI=1S/C14H17ClN2O/c1-9-5-6-13(10(2)7-9)18-8-12-11(3)16-17(4)14(12)15/h5-7H,8H2,1-4H3
InChIKeyXQJLRZJGVLAQLR-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.58
Rot. Bonds3

About 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole

5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole (PubChem CID 54920811) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
PubChem CID54920811
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
SMILESCc1ccc(OCc2c(C)nn(C)c2Cl)c(C)c1
InChIInChI=1S/C14H17ClN2O/c1-9-5-6-13(10(2)7-9)18-8-12-11(3)16-17(4)14(12)15/h5-7H,8H2,1-4H3
InChIKeyXQJLRZJGVLAQLR-UHFFFAOYSA-N
XLogP3.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-chloro-1,3-dimethylpyrazole
CID 113470023
5-chloro-1,3-dimethyl-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrazole
CID 60796615
(1R)-1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 104862104
3-chloro-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]benzaldehyde
CID 115619393
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
CID 115634537
5-chloro-4-[[2-(chloromethyl)phenoxy]methyl]-1,3-dimethylpyrazole
CID 113470016
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde
CID 115582254
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 115582249
(1S)-1-[5-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 104862018
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-3-ethoxybenzaldehyde
CID 115582251
(1R)-1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 102946771
1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102948392

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole (CID 54920811) is 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole is Cc1ccc(OCc2c(C)nn(C)c2Cl)c(C)c1.
What is the InChIKey of 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole?
The InChIKey is XQJLRZJGVLAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-5-6-13(10(2)7-9)18-8-12-11(3)16-17(4)14(12)15/h5-7H,8H2,1-4H3.
What are the key properties of 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole?
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole has a molecular weight of 264.76 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 54920811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).