5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol

C10H10FN3O2 — CID 117319162

IUPAC5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
SMILESCn1ncc(-c2cc(O)c(O)c(F)c2)c1N
InChIInChI=1S/C10H10FN3O2/c1-14-10(12)6(4-13-14)5-2-7(11)9(16)8(15)3-5/h2-4,15-16H,12H2,1H3
InChIKeyVSYXGFZIMBWYCP-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.22
Rot. Bonds1

About 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol

5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol (PubChem CID 117319162) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
PubChem CID117319162
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
SMILESCn1ncc(-c2cc(O)c(O)c(F)c2)c1N
InChIInChI=1S/C10H10FN3O2/c1-14-10(12)6(4-13-14)5-2-7(11)9(16)8(15)3-5/h2-4,15-16H,12H2,1H3
InChIKeyVSYXGFZIMBWYCP-UHFFFAOYSA-N
XLogP1.22
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117380458
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylbenzoic acid
CID 117375453
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
4-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylpyrazol-5-amine
CID 117412217
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol?
The IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol (CID 117319162) is 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol.
What is the SMILES notation for 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol?
The canonical SMILES for 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol is Cn1ncc(-c2cc(O)c(O)c(F)c2)c1N.
What is the InChIKey of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol?
The InChIKey is VSYXGFZIMBWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-14-10(12)6(4-13-14)5-2-7(11)9(16)8(15)3-5/h2-4,15-16H,12H2,1H3.
What are the key properties of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol?
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol has a molecular weight of 223.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol is sourced from PubChem (CID 117319162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).