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

C16H12ClFN2O — CID 107330323

IUPAC(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccc(F)cc1Cl)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H12ClFN2O/c17-14-10-11(18)6-7-13(14)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10,16,21H
InChIKeyIZJKKJIHUZEFKU-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.75
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol (PubChem CID 107330323) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
PubChem CID107330323
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccc(F)cc1Cl)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H12ClFN2O/c17-14-10-11(18)6-7-13(14)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10,16,21H
InChIKeyIZJKKJIHUZEFKU-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107329830
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329
(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330605
(6-chloro-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330378
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962440
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836
[(2-chloro-4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105215276
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol (CID 107330323) is (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol is OC(c1ccc(F)cc1Cl)c1ccnn1-c1ccccc1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol?
The InChIKey is IZJKKJIHUZEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-14-10-11(18)6-7-13(14)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10,16,21H.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol?
(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol has a molecular weight of 302.74 g/mol, XLogP of 3.75, 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)-(2-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 107330323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).