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

C15H19ClN2O2 — CID 79025841

IUPAC(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1nn(C)c(COc2ccc([C@@H](C)O)cc2)c1Cl
InChIInChI=1S/C15H19ClN2O2/c1-4-13-15(16)14(18(3)17-13)9-20-12-7-5-11(6-8-12)10(2)19/h5-8,10,19H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyMPSRJZXLXKERHD-SNVBAGLBSA-N
MW294.78 g/mol
LogP3.27
Rot. Bonds5

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

(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 79025841) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID79025841
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1nn(C)c(COc2ccc([C@@H](C)O)cc2)c1Cl
InChIInChI=1S/C15H19ClN2O2/c1-4-13-15(16)14(18(3)17-13)9-20-12-7-5-11(6-8-12)10(2)19/h5-8,10,19H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyMPSRJZXLXKERHD-SNVBAGLBSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
(1S)-1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-4-methylphenyl]ethanol
CID 79025830
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-5-[(1-ethylpyrazol-4-yl)oxymethyl]-1-methylpyrazole
CID 116804653
1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 43503636
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
4-amino-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 106954926
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluoroaniline
CID 104831258
3-bromo-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]aniline
CID 81499785
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
1-[5-amino-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanone
CID 116541100

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 79025841) is (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol is CCc1nn(C)c(COc2ccc([C@@H](C)O)cc2)c1Cl.
What is the InChIKey of (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is MPSRJZXLXKERHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-13-15(16)14(18(3)17-13)9-20-12-7-5-11(6-8-12)10(2)19/h5-8,10,19H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 294.78 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79025841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).