4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole

C12H12Cl2N2O — CID 58077329

IUPAC4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c1-7-12(8(2)16(3)15-7)17-11-5-9(13)4-10(14)6-11/h4-6H,1-3H3
InChIKeyKBTMVDWMCBXCFC-UHFFFAOYSA-N
MW271.15 g/mol
LogP4.14
Rot. Bonds2

About 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole

4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole (PubChem CID 58077329) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
PubChem CID58077329
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c1-7-12(8(2)16(3)15-7)17-11-5-9(13)4-10(14)6-11/h4-6H,1-3H3
InChIKeyKBTMVDWMCBXCFC-UHFFFAOYSA-N
XLogP4.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 112648512
3-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80748204
3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzaldehyde
CID 81151684
3-propoxy-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80747977
3-nitro-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80877774
1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
CID 79167110
2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 83072758
1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63803668
5-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
CID 114049955
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile
CID 81305880
N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
CID 79168453

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole (CID 58077329) is 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole?
The InChIKey is KBTMVDWMCBXCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-7-12(8(2)16(3)15-7)17-11-5-9(13)4-10(14)6-11/h4-6H,1-3H3.
What are the key properties of 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole?
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole has a molecular weight of 271.15 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 58077329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).