5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid

C11H10FN3O3 — CID 117380458

IUPAC5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
SMILESCn1ncc(-c2cc(F)c(O)c(C(=O)O)c2)c1N
InChIInChI=1S/C11H10FN3O3/c1-15-10(13)7(4-14-15)5-2-6(11(17)18)9(16)8(12)3-5/h2-4,16H,13H2,1H3,(H,17,18)
InChIKeySLDGSLBJSKJDHP-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.21
Rot. Bonds2

About 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid

5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid (PubChem CID 117380458) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
PubChem CID117380458
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
SMILESCn1ncc(-c2cc(F)c(O)c(C(=O)O)c2)c1N
InChIInChI=1S/C11H10FN3O3/c1-15-10(13)7(4-14-15)5-2-6(11(17)18)9(16)8(12)3-5/h2-4,16H,13H2,1H3,(H,17,18)
InChIKeySLDGSLBJSKJDHP-UHFFFAOYSA-N
XLogP1.21
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylbenzoic acid
CID 117375453
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
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
4-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylpyrazol-5-amine
CID 117412217
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
1-methyl-5-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 167964096
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid (CID 117380458) is 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid is Cn1ncc(-c2cc(F)c(O)c(C(=O)O)c2)c1N.
What is the InChIKey of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid?
The InChIKey is SLDGSLBJSKJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-15-10(13)7(4-14-15)5-2-6(11(17)18)9(16)8(12)3-5/h2-4,16H,13H2,1H3,(H,17,18).
What are the key properties of 5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid?
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid has a molecular weight of 251.22 g/mol, XLogP of 1.21, 2 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-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 117380458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).