[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol

C12H12F2N2O — CID 63076539

IUPAC[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol
SMILESCc1cc(C)n(-c2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C12H12F2N2O/c1-7-3-8(2)16(15-7)12-10(13)4-9(6-17)5-11(12)14/h3-5,17H,6H2,1-2H3
InChIKeyDUOZGXLQZOXKKJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.26
Rot. Bonds2

About [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol

[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol (PubChem CID 63076539) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol
PubChem CID63076539
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol
SMILESCc1cc(C)n(-c2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C12H12F2N2O/c1-7-3-8(2)16(15-7)12-10(13)4-9(6-17)5-11(12)14/h3-5,17H,6H2,1-2H3
InChIKeyDUOZGXLQZOXKKJ-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol (CID 63076539) is [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol is Cc1cc(C)n(-c2c(F)cc(CO)cc2F)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol?
The InChIKey is DUOZGXLQZOXKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7-3-8(2)16(15-7)12-10(13)4-9(6-17)5-11(12)14/h3-5,17H,6H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol?
[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol has a molecular weight of 238.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63076539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).