2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide

C12H14N4O2 — CID 107075978

IUPAC2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
SMILESCCc1cc(NC(=O)c2cc(O)ccc2N)n[nH]1
InChIInChI=1S/C12H14N4O2/c1-2-7-5-11(16-15-7)14-12(18)9-6-8(17)3-4-10(9)13/h3-6,17H,2,13H2,1H3,(H2,14,15,16,18)
InChIKeyLDEPFXRZXYGCJH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.51
Rot. Bonds3

About 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide

2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide (PubChem CID 107075978) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
PubChem CID107075978
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
SMILESCCc1cc(NC(=O)c2cc(O)ccc2N)n[nH]1
InChIInChI=1S/C12H14N4O2/c1-2-7-5-11(16-15-7)14-12(18)9-6-8(17)3-4-10(9)13/h3-6,17H,2,13H2,1H3,(H2,14,15,16,18)
InChIKeyLDEPFXRZXYGCJH-UHFFFAOYSA-N
XLogP1.51
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
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N-(5-ethyl-1H-pyrazol-3-yl)-2-hydroxy-5-methoxybenzamide
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3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
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2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
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4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115609335
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide (CID 107075978) is 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide is CCc1cc(NC(=O)c2cc(O)ccc2N)n[nH]1.
What is the InChIKey of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide?
The InChIKey is LDEPFXRZXYGCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-7-5-11(16-15-7)14-12(18)9-6-8(17)3-4-10(9)13/h3-6,17H,2,13H2,1H3,(H2,14,15,16,18).
What are the key properties of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide?
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide has a molecular weight of 246.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide is sourced from PubChem (CID 107075978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).