[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

C13H14Cl2N2O2 — CID 103003499

IUPAC[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCn1cc(CCOc2c(Cl)cc(Cl)cc2CO)cn1
InChIInChI=1S/C13H14Cl2N2O2/c1-17-7-9(6-16-17)2-3-19-13-10(8-18)4-11(14)5-12(13)15/h4-7,18H,2-3,8H2,1H3
InChIKeySKTHBXLGOOYFHC-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.84
Rot. Bonds5

About [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (PubChem CID 103003499) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
PubChem CID103003499
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCn1cc(CCOc2c(Cl)cc(Cl)cc2CO)cn1
InChIInChI=1S/C13H14Cl2N2O2/c1-17-7-9(6-16-17)2-3-19-13-10(8-18)4-11(14)5-12(13)15/h4-7,18H,2-3,8H2,1H3
InChIKeySKTHBXLGOOYFHC-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
N-[[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999588
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine;hydroiodide
CID 109464373
[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 61493875
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999366
N-[[3-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999936
(E)-3-[3-chloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-enoic acid
CID 103003836
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine;hydroiodide
CID 109464401

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (CID 103003499) is [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is Cn1cc(CCOc2c(Cl)cc(Cl)cc2CO)cn1.
What is the InChIKey of [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The InChIKey is SKTHBXLGOOYFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-17-7-9(6-16-17)2-3-19-13-10(8-18)4-11(14)5-12(13)15/h4-7,18H,2-3,8H2,1H3.
What are the key properties of [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol has a molecular weight of 301.17 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 103003499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).