1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol

C15H19ClFN3O — CID 114633412

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
SMILESCN(C)CCn1ncc(Cl)c1C(C)(O)c1ccccc1F
InChIInChI=1S/C15H19ClFN3O/c1-15(21,11-6-4-5-7-13(11)17)14-12(16)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3
InChIKeyIUPXQCYLZNRBGD-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol (PubChem CID 114633412) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
PubChem CID114633412
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
SMILESCN(C)CCn1ncc(Cl)c1C(C)(O)c1ccccc1F
InChIInChI=1S/C15H19ClFN3O/c1-15(21,11-6-4-5-7-13(11)17)14-12(16)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3
InChIKeyIUPXQCYLZNRBGD-UHFFFAOYSA-N
XLogP2.49
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)ethanol
CID 114633409
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
CID 114910706
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
CID 114636632
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 114635759
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol
CID 114865114
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
CID 114666035
2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832778
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 114633372
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-fluorophenyl)ethanone
CID 114639082
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
CID 114633471

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol (CID 114633412) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol is CN(C)CCn1ncc(Cl)c1C(C)(O)c1ccccc1F.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol?
The InChIKey is IUPXQCYLZNRBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-15(21,11-6-4-5-7-13(11)17)14-12(16)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol has a molecular weight of 311.79 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 114633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).