2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C12H14N4O2 — CID 106208042

IUPAC2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1N)c1cn[nH]c1
InChIInChI=1S/C12H14N4O2/c1-7(8-5-14-15-6-8)16-12(18)10-4-9(17)2-3-11(10)13/h2-7,17H,13H2,1H3,(H,14,15)(H,16,18)
InChIKeyBIEYERFSMSVALN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 106208042) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID106208042
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(O)ccc1N)c1cn[nH]c1
InChIInChI=1S/C12H14N4O2/c1-7(8-5-14-15-6-8)16-12(18)10-4-9(17)2-3-11(10)13/h2-7,17H,13H2,1H3,(H,14,15)(H,16,18)
InChIKeyBIEYERFSMSVALN-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
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

5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
5-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 106215657
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
2-amino-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218076

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 106208042) is 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1cc(O)ccc1N)c1cn[nH]c1.
What is the InChIKey of 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is BIEYERFSMSVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7(8-5-14-15-6-8)16-12(18)10-4-9(17)2-3-11(10)13/h2-7,17H,13H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106208042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).