[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol

C13H14F2N2O — CID 55146790

IUPAC[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol
SMILESCc1nn(-c2c(F)cc(CO)cc2F)c(C)c1C
InChIInChI=1S/C13H14F2N2O/c1-7-8(2)16-17(9(7)3)13-11(14)4-10(6-18)5-12(13)15/h4-5,18H,6H2,1-3H3
InChIKeyAVWQIFXTUJICCQ-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.57
Rot. Bonds2

About [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol

[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol (PubChem CID 55146790) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol
PubChem CID55146790
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol
SMILESCc1nn(-c2c(F)cc(CO)cc2F)c(C)c1C
InChIInChI=1S/C13H14F2N2O/c1-7-8(2)16-17(9(7)3)13-11(14)4-10(6-18)5-12(13)15/h4-5,18H,6H2,1-3H3
InChIKeyAVWQIFXTUJICCQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol (CID 55146790) is [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol is Cc1nn(-c2c(F)cc(CO)cc2F)c(C)c1C.
What is the InChIKey of [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol?
The InChIKey is AVWQIFXTUJICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-7-8(2)16-17(9(7)3)13-11(14)4-10(6-18)5-12(13)15/h4-5,18H,6H2,1-3H3.
What are the key properties of [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol?
[3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol has a molecular weight of 252.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 55146790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).