(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol

C14H18N2O — CID 63372060

IUPAC(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1nn(-c2ccccc2[C@H](C)O)c(C)c1C
InChIInChI=1S/C14H18N2O/c1-9-10(2)15-16(11(9)3)14-8-6-5-7-13(14)12(4)17/h5-8,12,17H,1-4H3/t12-/m0/s1
InChIKeyUVLFRQHVQDDRJQ-LBPRGKRZSA-N
MW230.31 g/mol
LogP2.85
Rot. Bonds2

About (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol

(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol (PubChem CID 63372060) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
PubChem CID63372060
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
SMILESCc1nn(-c2ccccc2[C@H](C)O)c(C)c1C
InChIInChI=1S/C14H18N2O/c1-9-10(2)15-16(11(9)3)14-8-6-5-7-13(14)12(4)17/h5-8,12,17H,1-4H3/t12-/m0/s1
InChIKeyUVLFRQHVQDDRJQ-LBPRGKRZSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol (CID 63372060) is (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol is Cc1nn(-c2ccccc2[C@H](C)O)c(C)c1C.
What is the InChIKey of (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is UVLFRQHVQDDRJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-10(2)15-16(11(9)3)14-8-6-5-7-13(14)12(4)17/h5-8,12,17H,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol?
(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 63372060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).