[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol

C13H15ClN2O2 — CID 58907199

IUPAC[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(C)c1Oc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-3-11-12(8-17)15-16(2)13(11)18-10-6-4-5-9(14)7-10/h4-7,17H,3,8H2,1-2H3
InChIKeyUXLOEXCIMURDED-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.92
Rot. Bonds4

About [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol

[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol (PubChem CID 58907199) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol
PubChem CID58907199
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(C)c1Oc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-3-11-12(8-17)15-16(2)13(11)18-10-6-4-5-9(14)7-10/h4-7,17H,3,8H2,1-2H3
InChIKeyUXLOEXCIMURDED-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methylurea
CID 58907110
1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine
CID 170891001
3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol
CID 157384513
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
3-chloro-5-[4-ethyl-5-(hydroxymethyl)-2-propan-2-ylpyrazol-3-yl]oxybenzonitrile
CID 58907201
4-(bromomethyl)-5-(3-ethylphenoxy)-1,3-dimethylpyrazole
CID 107086346
5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole
CID 163778460
3-bromo-5-(3-chlorophenoxy)-1-ethyl-1,2,4-triazole
CID 134497805
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
5-(3-chlorophenoxy)-4-(1,3-dioxolan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 170874153
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol (CID 58907199) is [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol is CCc1c(CO)nn(C)c1Oc1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol?
The InChIKey is UXLOEXCIMURDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-11-12(8-17)15-16(2)13(11)18-10-6-4-5-9(14)7-10/h4-7,17H,3,8H2,1-2H3.
What are the key properties of [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol?
[5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol has a molecular weight of 266.73 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenoxy)-4-ethyl-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 58907199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).