(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol

C14H18N2O2 — CID 113387010

IUPAC(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1cc([C@@H](C)O)ccc1OCc1ccn(C)n1
InChIInChI=1S/C14H18N2O2/c1-10-8-12(11(2)17)4-5-14(10)18-9-13-6-7-16(3)15-13/h4-8,11,17H,9H2,1-3H3/t11-/m1/s1
InChIKeyYTUDVXWEGRHVJJ-LLVKDONJSA-N
MW246.31 g/mol
LogP2.36
Rot. Bonds4

About (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol

(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 113387010) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID113387010
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1cc([C@@H](C)O)ccc1OCc1ccn(C)n1
InChIInChI=1S/C14H18N2O2/c1-10-8-12(11(2)17)4-5-14(10)18-9-13-6-7-16(3)15-13/h4-8,11,17H,9H2,1-3H3/t11-/m1/s1
InChIKeyYTUDVXWEGRHVJJ-LLVKDONJSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043902
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 82866339
[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870264
3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82866185
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
1-[2-[(1-methylpyrazol-3-yl)methoxy]-5-nitrophenyl]ethanol
CID 116541942
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 114528382
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
4-[[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]methyl]-3-methylbenzonitrile
CID 104930204
[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 113387010) is (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol is Cc1cc([C@@H](C)O)ccc1OCc1ccn(C)n1.
What is the InChIKey of (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is YTUDVXWEGRHVJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-8-12(11(2)17)4-5-14(10)18-9-13-6-7-16(3)15-13/h4-8,11,17H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 113387010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).