[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol

C12H14FN3O — CID 114034674

IUPAC[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol
SMILESCC(C)c1ccn(-c2ncc(F)cc2CO)n1
InChIInChI=1S/C12H14FN3O/c1-8(2)11-3-4-16(15-11)12-9(7-17)5-10(13)6-14-12/h3-6,8,17H,7H2,1-2H3
InChIKeyZVBBIQNPQCMKNW-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.02
Rot. Bonds3

About [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol

[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol (PubChem CID 114034674) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol
PubChem CID114034674
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol
SMILESCC(C)c1ccn(-c2ncc(F)cc2CO)n1
InChIInChI=1S/C12H14FN3O/c1-8(2)11-3-4-16(15-11)12-9(7-17)5-10(13)6-14-12/h3-6,8,17H,7H2,1-2H3
InChIKeyZVBBIQNPQCMKNW-UHFFFAOYSA-N
XLogP2.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-5-yl]methanol
CID 83184725
5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
CID 80632719
[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol
CID 62491929
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62489855
N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390657
1-(3-fluorophenyl)-3-propan-2-ylpyrazole
CID 66016724
N-[[5-chloro-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62490052
2-methyl-N-[[5-methyl-6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80639024
[5-fluoro-4-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902367
[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
CID 62489173
[2-(3-cyclopropylpyrazol-1-yl)-5-fluoro-3-pyridinyl]methanamine
CID 114035497
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62490188

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol (CID 114034674) is [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol is CC(C)c1ccn(-c2ncc(F)cc2CO)n1.
What is the InChIKey of [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol?
The InChIKey is ZVBBIQNPQCMKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(2)11-3-4-16(15-11)12-9(7-17)5-10(13)6-14-12/h3-6,8,17H,7H2,1-2H3.
What are the key properties of [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol?
[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 114034674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).