2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol

C15H20ClN3O — CID 105106467

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCc1nn(C)c(CC(O)c2cccc(N(C)C)c2)c1Cl
InChIInChI=1S/C15H20ClN3O/c1-10-15(16)13(19(4)17-10)9-14(20)11-6-5-7-12(8-11)18(2)3/h5-8,14,20H,9H2,1-4H3
InChIKeyOEUKEOZOENWDSL-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol (PubChem CID 105106467) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol
PubChem CID105106467
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCc1nn(C)c(CC(O)c2cccc(N(C)C)c2)c1Cl
InChIInChI=1S/C15H20ClN3O/c1-10-15(16)13(19(4)17-10)9-14(20)11-6-5-7-12(8-11)18(2)3/h5-8,14,20H,9H2,1-4H3
InChIKeyOEUKEOZOENWDSL-UHFFFAOYSA-N
XLogP2.72
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216893
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846129
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114852945
5-[2-(3-bromophenyl)-3-chloropropyl]-4-chloro-1,3-dimethylpyrazole
CID 79431748
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416832
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol
CID 113398314
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440853
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
3-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115481077
1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
CID 105110020
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol (CID 105106467) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol is Cc1nn(C)c(CC(O)c2cccc(N(C)C)c2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol?
The InChIKey is OEUKEOZOENWDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10-15(16)13(19(4)17-10)9-14(20)11-6-5-7-12(8-11)18(2)3/h5-8,14,20H,9H2,1-4H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol has a molecular weight of 293.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol is sourced from PubChem (CID 105106467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).