(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol

C12H12ClFN2O — CID 114635377

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1c(Cl)cnn1C
InChIInChI=1S/C12H12ClFN2O/c1-7-5-8(14)3-4-9(7)12(17)11-10(13)6-15-16(11)2/h3-6,12,17H,1-2H3
InChIKeyZYYJVNZYWMLDPC-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.60
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol

(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol (PubChem CID 114635377) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
PubChem CID114635377
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1c(Cl)cnn1C
InChIInChI=1S/C12H12ClFN2O/c1-7-5-8(14)3-4-9(7)12(17)11-10(13)6-15-16(11)2/h3-6,12,17H,1-2H3
InChIKeyZYYJVNZYWMLDPC-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 115836734
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969920
(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114644848
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
[(4-chloro-1-methylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105216647
(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 63894185
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-dimethylphenyl)methanol
CID 114634928
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 114643064
(4-chloro-1-methylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanol
CID 114643644

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol (CID 114635377) is (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)c1c(Cl)cnn1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is ZYYJVNZYWMLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-7-5-8(14)3-4-9(7)12(17)11-10(13)6-15-16(11)2/h3-6,12,17H,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 254.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 114635377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).