[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol

C16H14ClFN4O — CID 51038198

IUPAC[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol
SMILESCc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CO)ccn1
InChIInChI=1S/C16H14ClFN4O/c1-10-7-11(5-6-19-10)22-12(9-23)8-15(21-22)20-14-4-2-3-13(17)16(14)18/h2-8,23H,9H2,1H3,(H,20,21)
InChIKeyBRQCHLWFTHLWSW-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.60
Rot. Bonds4

About [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol

[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol (PubChem CID 51038198) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol
PubChem CID51038198
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol
SMILESCc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CO)ccn1
InChIInChI=1S/C16H14ClFN4O/c1-10-7-11(5-6-19-10)22-12(9-23)8-15(21-22)20-14-4-2-3-13(17)16(14)18/h2-8,23H,9H2,1H3,(H,20,21)
InChIKeyBRQCHLWFTHLWSW-UHFFFAOYSA-N
XLogP3.60
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol?
The IUPAC name of [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol (CID 51038198) is [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol?
The canonical SMILES for [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol is Cc1cc(-n2nc(Nc3cccc(Cl)c3F)cc2CO)ccn1.
What is the InChIKey of [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol?
The InChIKey is BRQCHLWFTHLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c1-10-7-11(5-6-19-10)22-12(9-23)8-15(21-22)20-14-4-2-3-13(17)16(14)18/h2-8,23H,9H2,1H3,(H,20,21).
What are the key properties of [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol?
[3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol has a molecular weight of 332.77 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-2-fluoroanilino)-1-(2-methyl-4-pyridinyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 51038198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).