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

C14H17ClN2O2 — CID 79025770

IUPAC(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1nn(C)c(COc2ccccc2[C@@H](C)O)c1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9-14(15)12(17(3)16-9)8-19-13-7-5-4-6-11(13)10(2)18/h4-7,10,18H,8H2,1-3H3/t10-/m1/s1
InChIKeyOPEOYVPOJXHIEB-SNVBAGLBSA-N
MW280.75 g/mol
LogP3.01
Rot. Bonds4

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

(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 79025770) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID79025770
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1nn(C)c(COc2ccccc2[C@@H](C)O)c1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9-14(15)12(17(3)16-9)8-19-13-7-5-4-6-11(13)10(2)18/h4-7,10,18H,8H2,1-3H3/t10-/m1/s1
InChIKeyOPEOYVPOJXHIEB-SNVBAGLBSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103786
(1S)-1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-4-methylphenyl]ethanol
CID 79025830
3-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 77103752
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533934
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025773
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679
(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064
(1R)-1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 104862104
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
(2S)-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]propanoic acid
CID 104876117

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 79025770) is (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol is Cc1nn(C)c(COc2ccccc2[C@@H](C)O)c1Cl.
What is the InChIKey of (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is OPEOYVPOJXHIEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-14(15)12(17(3)16-9)8-19-13-7-5-4-6-11(13)10(2)18/h4-7,10,18H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 280.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79025770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).