(5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol

C11H12FN3O — CID 65362089

IUPAC(5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol
SMILESCn1ncc(C(O)c2cccc(F)c2)c1N
InChIInChI=1S/C11H12FN3O/c1-15-11(13)9(6-14-15)10(16)7-3-2-4-8(12)5-7/h2-6,10,16H,13H2,1H3
InChIKeyBXNYSTVKNHPPAC-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.22
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol

(5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol (PubChem CID 65362089) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol
PubChem CID65362089
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol
SMILESCn1ncc(C(O)c2cccc(F)c2)c1N
InChIInChI=1S/C11H12FN3O/c1-15-11(13)9(6-14-15)10(16)7-3-2-4-8(12)5-7/h2-6,10,16H,13H2,1H3
InChIKeyBXNYSTVKNHPPAC-UHFFFAOYSA-N
XLogP1.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.22
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)-(3-fluorophenyl)methanol?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol (CID 65362089) is (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol is Cn1ncc(C(O)c2cccc(F)c2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol?
The InChIKey is BXNYSTVKNHPPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-11(13)9(6-14-15)10(16)7-3-2-4-8(12)5-7/h2-6,10,16H,13H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol?
(5-amino-1-methylpyrazol-4-yl)-(3-fluorophenyl)methanol has a molecular weight of 221.24 g/mol, XLogP of 1.22, 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)-(3-fluorophenyl)methanol is sourced from PubChem (CID 65362089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).