3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C13H15N3O3 — CID 103891981

IUPAC3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H15N3O3/c1-9(8-16-4-2-3-14-16)15-13(19)10-5-11(17)7-12(18)6-10/h2-7,9,17-18H,8H2,1H3,(H,15,19)
InChIKeyXEWAOXYLDDPIDR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.11
Rot. Bonds4

About 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 103891981) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID103891981
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H15N3O3/c1-9(8-16-4-2-3-14-16)15-13(19)10-5-11(17)7-12(18)6-10/h2-7,9,17-18H,8H2,1H3,(H,15,19)
InChIKeyXEWAOXYLDDPIDR-UHFFFAOYSA-N
XLogP1.11
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607203
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 70728129
5-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 38610936
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 103891981) is 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is XEWAOXYLDDPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(8-16-4-2-3-14-16)15-13(19)10-5-11(17)7-12(18)6-10/h2-7,9,17-18H,8H2,1H3,(H,15,19).
What are the key properties of 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103891981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).