2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide

C13H15N3O4 — CID 103749044

IUPAC2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2c(O)cccc2O)cn1
InChIInChI=1S/C13H15N3O4/c1-20-6-5-16-8-9(7-14-16)15-13(19)12-10(17)3-2-4-11(12)18/h2-4,7-8,17-18H,5-6H2,1H3,(H,15,19)
InChIKeyOIIQZWDSGPKACA-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.19
Rot. Bonds5

About 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide

2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (PubChem CID 103749044) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
PubChem CID103749044
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2c(O)cccc2O)cn1
InChIInChI=1S/C13H15N3O4/c1-20-6-5-16-8-9(7-14-16)15-13(19)12-10(17)3-2-4-11(12)18/h2-4,7-8,17-18H,5-6H2,1H3,(H,15,19)
InChIKeyOIIQZWDSGPKACA-UHFFFAOYSA-N
XLogP1.19
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 61067363
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(3-nitrophenyl)methyl]urea
CID 47050574
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 115286389
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (CID 103749044) is 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide is COCCn1cc(NC(=O)c2c(O)cccc2O)cn1.
What is the InChIKey of 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The InChIKey is OIIQZWDSGPKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-20-6-5-16-8-9(7-14-16)15-13(19)12-10(17)3-2-4-11(12)18/h2-4,7-8,17-18H,5-6H2,1H3,(H,15,19).
What are the key properties of 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide has a molecular weight of 277.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 103749044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).