4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C14H17N3O2 — CID 103951812

IUPAC4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2cnn(C)c2)ccc1O
InChIInChI=1S/C14H17N3O2/c1-10-7-12(3-4-13(10)18)14(19)15-6-5-11-8-16-17(2)9-11/h3-4,7-9,18H,5-6H2,1-2H3,(H,15,19)
InChIKeyGIWANIZVZBHQKO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.41
Rot. Bonds4

About 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 103951812) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID103951812
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2cnn(C)c2)ccc1O
InChIInChI=1S/C14H17N3O2/c1-10-7-12(3-4-13(10)18)14(19)15-6-5-11-8-16-17(2)9-11/h3-4,7-9,18H,5-6H2,1-2H3,(H,15,19)
InChIKeyGIWANIZVZBHQKO-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80690560
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-nitrobenzamide
CID 80685172
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638
1-methyl-4-[2-[[4-methyl-3-(4-methyl-N-sulfinatoanilino)benzoyl]amino]ethyl]pyrazole
CID 175034715
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 103951812) is 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is Cc1cc(C(=O)NCCc2cnn(C)c2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is GIWANIZVZBHQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-7-12(3-4-13(10)18)14(19)15-6-5-11-8-16-17(2)9-11/h3-4,7-9,18H,5-6H2,1-2H3,(H,15,19).
What are the key properties of 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103951812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).