(2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol

C12H12ClFN2O — CID 62944682

IUPAC(2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C12H12ClFN2O/c1-2-16-7-8(6-15-16)12(17)10-4-3-9(14)5-11(10)13/h3-7,12,17H,2H2,1H3
InChIKeyRCAXHUMAMCTEOZ-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.78
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol

(2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 62944682) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID62944682
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name(2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C12H12ClFN2O/c1-2-16-7-8(6-15-16)12(17)10-4-3-9(14)5-11(10)13/h3-7,12,17H,2H2,1H3
InChIKeyRCAXHUMAMCTEOZ-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

1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
CID 3756816
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-ethanol
CID 3838438
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
1-(2-Chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 72043959
1-(2,4-Difluoro-5-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027903
1-(2,6-Difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027924
1-(4-Chloro-2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028044
[1-[(3-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 103041265
1-[1-[(3-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol
CID 103041266
1-[1-[(3-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 103041267
2-(5-Chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 103047549
1-(3-Tert-butyl-1-methylpyrazol-4-yl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047762

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol (CID 62944682) is (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2ccc(F)cc2Cl)cn1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is RCAXHUMAMCTEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-2-16-7-8(6-15-16)12(17)10-4-3-9(14)5-11(10)13/h3-7,12,17H,2H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol?
(2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-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 (2-chloro-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 62944682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).