2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol

C15H18ClFN2O2 — CID 81299680

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCCc1nn(C)c(CC(O)c2ccc(OC)cc2F)c1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-4-12-15(16)13(19(2)18-12)8-14(20)10-6-5-9(21-3)7-11(10)17/h5-7,14,20H,4,8H2,1-3H3
InChIKeyUVYTWUQGKWEEBV-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol (PubChem CID 81299680) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
PubChem CID81299680
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCCc1nn(C)c(CC(O)c2ccc(OC)cc2F)c1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-4-12-15(16)13(19(2)18-12)8-14(20)10-6-5-9(21-3)7-11(10)17/h5-7,14,20H,4,8H2,1-3H3
InChIKeyUVYTWUQGKWEEBV-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305018
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105107301
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348112
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114894574
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114852945
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105316835

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol (CID 81299680) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol is CCc1nn(C)c(CC(O)c2ccc(OC)cc2F)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is UVYTWUQGKWEEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-4-12-15(16)13(19(2)18-12)8-14(20)10-6-5-9(21-3)7-11(10)17/h5-7,14,20H,4,8H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 312.77 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 81299680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).