(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol

C13H14ClFN2O — CID 114197501

IUPAC(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1nccc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2O/c1-8(2)17-11(6-7-16-17)13(18)9-4-3-5-10(14)12(9)15/h3-8,13,18H,1-2H3
InChIKeyYOQIWEQOBYWQDP-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.34
Rot. Bonds3

About (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol

(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol (PubChem CID 114197501) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
PubChem CID114197501
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1nccc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2O/c1-8(2)17-11(6-7-16-17)13(18)9-4-3-5-10(14)12(9)15/h3-8,13,18H,1-2H3
InChIKeyYOQIWEQOBYWQDP-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol (CID 114197501) is (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol is CC(C)n1nccc1C(O)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
The InChIKey is YOQIWEQOBYWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8(2)17-11(6-7-16-17)13(18)9-4-3-5-10(14)12(9)15/h3-8,13,18H,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol?
(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol has a molecular weight of 268.72 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol is sourced from PubChem (CID 114197501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).