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

C12H12F2N2O — CID 79584482

IUPAC(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCc1c(C(O)c2cc(F)cc(F)c2)cnn1C
InChIInChI=1S/C12H12F2N2O/c1-7-11(6-15-16(7)2)12(17)8-3-9(13)5-10(14)4-8/h3-6,12,17H,1-2H3
InChIKeyQJXWPPUAFHSZMA-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.09
Rot. Bonds2

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

(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol (PubChem CID 79584482) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
PubChem CID79584482
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCc1c(C(O)c2cc(F)cc(F)c2)cnn1C
InChIInChI=1S/C12H12F2N2O/c1-7-11(6-15-16(7)2)12(17)8-3-9(13)5-10(14)4-8/h3-6,12,17H,1-2H3
InChIKeyQJXWPPUAFHSZMA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79705223
[(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105301848
(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 79584669
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(3,5-difluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64990191
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679
2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79583974
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
CID 114270280
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(3,5-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)-N-methylmethanamine
CID 112742312

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol (CID 79584482) is (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol is Cc1c(C(O)c2cc(F)cc(F)c2)cnn1C.
What is the InChIKey of (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
The InChIKey is QJXWPPUAFHSZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7-11(6-15-16(7)2)12(17)8-3-9(13)5-10(14)4-8/h3-6,12,17H,1-2H3.
What are the key properties of (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol has a molecular weight of 238.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 79584482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).