N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide

C11H12N4O2 — CID 79529688

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12N4O2/c12-10-8(6-14-15-10)5-13-11(17)7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H,13,17)(H3,12,14,15)
InChIKeyOJZYQDIIHBWMEY-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.63
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide (PubChem CID 79529688) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
PubChem CID79529688
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide
SMILESNc1[nH]ncc1CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12N4O2/c12-10-8(6-14-15-10)5-13-11(17)7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H,13,17)(H3,12,14,15)
InChIKeyOJZYQDIIHBWMEY-UHFFFAOYSA-N
XLogP0.63
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chlorobenzamide
CID 79530127
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-dibromobenzamide
CID 114022797
N-[(5-amino-1H-pyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 79529850
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79530883
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
CID 79531317
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-hydroxynaphthalene-2-carboxamide
CID 79530279
N-[(5-amino-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 79531188
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide
CID 106688560
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-methylfuran-2-carboxamide
CID 79530310
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide (CID 79529688) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide is Nc1[nH]ncc1CNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide?
The InChIKey is OJZYQDIIHBWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-10-8(6-14-15-10)5-13-11(17)7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H,13,17)(H3,12,14,15).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide has a molecular weight of 232.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-hydroxybenzamide is sourced from PubChem (CID 79529688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).