1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol

C15H19ClN2O2 — CID 105109545

IUPAC1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
SMILESCCn1nc(C)cc1CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-18-13(8-11(2)17-18)9-14(19)10-20-15-6-4-12(16)5-7-15/h4-8,14,19H,3,9-10H2,1-2H3
InChIKeyUYCGSAAZRVKYBW-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.85
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol (PubChem CID 105109545) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
PubChem CID105109545
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
SMILESCCn1nc(C)cc1CC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-18-13(8-11(2)17-18)9-14(19)10-20-15-6-4-12(16)5-7-15/h4-8,14,19H,3,9-10H2,1-2H3
InChIKeyUYCGSAAZRVKYBW-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
CID 115816380
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 86807083
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816497
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105109618

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol (CID 105109545) is 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol is CCn1nc(C)cc1CC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
The InChIKey is UYCGSAAZRVKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-18-13(8-11(2)17-18)9-14(19)10-20-15-6-4-12(16)5-7-15/h4-8,14,19H,3,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol has a molecular weight of 294.78 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 105109545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).