(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol

C12H12ClFN2O — CID 63975266

IUPAC(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H12ClFN2O/c1-2-16-11(5-6-15-16)12(17)8-3-4-9(13)10(14)7-8/h3-7,12,17H,2H2,1H3
InChIKeyLWMMDOITTHOYFZ-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.78
Rot. Bonds3

About (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol

(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol (PubChem CID 63975266) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
PubChem CID63975266
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H12ClFN2O/c1-2-16-11(5-6-15-16)12(17)8-3-4-9(13)10(14)7-8/h3-7,12,17H,2H2,1H3
InChIKeyLWMMDOITTHOYFZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
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(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
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(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 66424235
(3-ethylphenyl)-(2-ethylpyrazol-3-yl)methanol
CID 114556807
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
(2-ethylpyrazol-3-yl)-(4-propylphenyl)methanol
CID 114556918
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
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(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107329830

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol (CID 63975266) is (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is LWMMDOITTHOYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-2-16-11(5-6-15-16)12(17)8-3-4-9(13)10(14)7-8/h3-7,12,17H,2H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 254.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 63975266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).