N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide

C11H11FN4O2 — CID 115298387

IUPACN-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide
SMILESCn1ncc(N)c1NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H11FN4O2/c1-16-10(8(13)5-14-16)15-11(18)7-4-6(12)2-3-9(7)17/h2-5,17H,13H2,1H3,(H,15,18)
InChIKeyLEHNQGQPDIMURP-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.10
Rot. Bonds2

About N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide

N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115298387) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID115298387
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide
SMILESCn1ncc(N)c1NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H11FN4O2/c1-16-10(8(13)5-14-16)15-11(18)7-4-6(12)2-3-9(7)17/h2-5,17H,13H2,1H3,(H,15,18)
InChIKeyLEHNQGQPDIMURP-UHFFFAOYSA-N
XLogP1.10
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105063
N-(4-amino-1-methylpyrazol-5-yl)-5-fluoropyridine-3-carboxamide
CID 113452799
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,4-difluorobenzamide
CID 79499966
N-(4-amino-1-methylpyrazol-5-yl)-3-methylimidazole-4-carboxamide
CID 103510347
N-(3-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 107333935
N-(2-amino-5-fluorophenyl)-2-hydroxy-5-methylbenzamide
CID 55169166
N-(4-cyano-1-methylpyrazol-5-yl)-2-hydroxy-5-methoxybenzamide
CID 112723818
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-(4-amino-1-methylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutanamide
CID 114282144
5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834726

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide (CID 115298387) is N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide is Cn1ncc(N)c1NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is LEHNQGQPDIMURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-16-10(8(13)5-14-16)15-11(18)7-4-6(12)2-3-9(7)17/h2-5,17H,13H2,1H3,(H,15,18).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide?
N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 250.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115298387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).