2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol

C15H19ClN2O2 — CID 107709411

IUPAC2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1nn(C)c(COc2ccc(CCO)cc2)c1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-13-15(16)14(18(2)17-13)10-20-12-6-4-11(5-7-12)8-9-19/h4-7,19H,3,8-10H2,1-2H3
InChIKeyUXHUSETYVRDADE-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol

2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 107709411) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID107709411
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1nn(C)c(COc2ccc(CCO)cc2)c1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-13-15(16)14(18(2)17-13)10-20-12-6-4-11(5-7-12)8-9-19/h4-7,19H,3,8-10H2,1-2H3
InChIKeyUXHUSETYVRDADE-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025841
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794426
2-amino-5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 107076819
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
4-chloro-3-ethyl-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
CID 116804653
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
4-amino-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 106954926
4-chloro-5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3-ethyl-1-methylpyrazole
CID 115956601
2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709539
2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyphenyl]ethanol
CID 107709674
(1S)-1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-4-methylphenyl]ethanol
CID 79025830
2-chloro-6-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzenecarbothioamide
CID 114322970

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 107709411) is 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol is CCc1nn(C)c(COc2ccc(CCO)cc2)c1Cl.
What is the InChIKey of 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is UXHUSETYVRDADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-13-15(16)14(18(2)17-13)10-20-12-6-4-11(5-7-12)8-9-19/h4-7,19H,3,8-10H2,1-2H3.
What are the key properties of 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 294.78 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107709411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).