(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol

C11H10ClFN2O — CID 63895357

IUPAC(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C11H10ClFN2O/c1-15-6-8(5-14-15)11(16)7-2-3-9(12)10(13)4-7/h2-6,11,16H,1H3
InChIKeyRBLKEFYKRFJGIH-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.29
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol

(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 63895357) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID63895357
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C11H10ClFN2O/c1-15-6-8(5-14-15)11(16)7-2-3-9(12)10(13)4-7/h2-6,11,16H,1H3
InChIKeyRBLKEFYKRFJGIH-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3756816
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CID 3838438
4-[(4-Chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529676
(alphaR)-4-Chloro-2-(3-methyl-1H-pyrazol-1-yl)-alpha-(trifluoromethyl)benzenemethanol
CID 25210912
(4-chlorophenyl)(1H-pyrazol-4-yl)methanol
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1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methanol
CID 5180935
1-(2-Chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 72043959
2,2,2-Trifluoro-1-(1-methylpyrazol-4-yl)-1-phenylethanol
CID 134859427
(4-chlorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 11550333
(3-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-YL)methanol
CID 3820291
3-[4-Chloro-2-(2-fluoro-alpha-hydroxy-benzyl)-phenyl]-4-hydroxymethyl-2-methyl-pyrazole
CID 20321566

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol (CID 63895357) is (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is RBLKEFYKRFJGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-6-8(5-14-15)11(16)7-2-3-9(12)10(13)4-7/h2-6,11,16H,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol?
(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 240.67 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 63895357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).