(1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol

C12H12F2N2O — CID 70853857

IUPAC(1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol
SMILESCc1cc(F)c(F)cc1-c1[nH]ncc1[C@H](C)O
InChIInChI=1S/C12H12F2N2O/c1-6-3-10(13)11(14)4-8(6)12-9(7(2)17)5-15-16-12/h3-5,7,17H,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyIPZCYXOGEQARCF-ZETCQYMHSA-N
MW238.24 g/mol
LogP2.72
Rot. Bonds2

About (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol

(1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 70853857) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol
PubChem CID70853857
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name(1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol
SMILESCc1cc(F)c(F)cc1-c1[nH]ncc1[C@H](C)O
InChIInChI=1S/C12H12F2N2O/c1-6-3-10(13)11(14)4-8(6)12-9(7(2)17)5-15-16-12/h3-5,7,17H,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyIPZCYXOGEQARCF-ZETCQYMHSA-N
XLogP2.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol (CID 70853857) is (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol is Cc1cc(F)c(F)cc1-c1[nH]ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is IPZCYXOGEQARCF-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-6-3-10(13)11(14)4-8(6)12-9(7(2)17)5-15-16-12/h3-5,7,17H,1-2H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol?
(1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 238.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 70853857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).