(5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol

C12H14FN3O — CID 65362356

IUPAC(5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cnn(C)c1N
InChIInChI=1S/C12H14FN3O/c1-7-3-4-8(13)5-9(7)11(17)10-6-15-16(2)12(10)14/h3-6,11,17H,14H2,1-2H3
InChIKeyZQRRBOXGBHSAFB-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.53
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol

(5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 65362356) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID65362356
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cnn(C)c1N
InChIInChI=1S/C12H14FN3O/c1-7-3-4-8(13)5-9(7)11(17)10-6-15-16(2)12(10)14/h3-6,11,17H,14H2,1-2H3
InChIKeyZQRRBOXGBHSAFB-UHFFFAOYSA-N
XLogP1.53
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol (CID 65362356) is (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1cnn(C)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is ZQRRBOXGBHSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-3-4-8(13)5-9(7)11(17)10-6-15-16(2)12(10)14/h3-6,11,17H,14H2,1-2H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol?
(5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 235.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 65362356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).