5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide

C13H15N3O3 — CID 50948536

IUPAC5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide
SMILESCOc1ccc(-n2cc(CCO)cn2)cc1C(N)=O
InChIInChI=1S/C13H15N3O3/c1-19-12-3-2-10(6-11(12)13(14)18)16-8-9(4-5-17)7-15-16/h2-3,6-8,17H,4-5H2,1H3,(H2,14,18)
InChIKeyHJKIGCODUYKCNY-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.51
Rot. Bonds5

About 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide

5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide (PubChem CID 50948536) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide
PubChem CID50948536
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide
SMILESCOc1ccc(-n2cc(CCO)cn2)cc1C(N)=O
InChIInChI=1S/C13H15N3O3/c1-19-12-3-2-10(6-11(12)13(14)18)16-8-9(4-5-17)7-15-16/h2-3,6-8,17H,4-5H2,1H3,(H2,14,18)
InChIKeyHJKIGCODUYKCNY-UHFFFAOYSA-N
XLogP0.51
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 1481827
1-(3-Cyano-4-methoxy-phenyl)-1H-pyrazole-4-carboxylic acid
CID 44382766
2-(Aminomethyl)-6-pyrazol-1-ylchromen-4-one;hydrochloride
CID 126484790
2-Hydroxy-5-pyrazol-1-ylbenzoic acid
CID 12463108
2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292673
N-(1,3-diphenylpyrazol-4-yl)-2-methoxybenzamide
CID 46204120
4-(1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
CID 46231423
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide
CID 47076873
2-[1-(4-methoxy-3-methylphenyl)-1H-pyrazol-4-yl]ethanol
CID 50949868
5-[3,5-Dimethyl-4-(2-oxopropyl)pyrazol-1-yl]-2-ethoxybenzamide
CID 50958630
5-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-methoxybenzamide
CID 50971170
4-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-(2-methoxybenzoyl)piperidine
CID 53149284

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide?
The IUPAC name of 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide (CID 50948536) is 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide?
The canonical SMILES for 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide is COc1ccc(-n2cc(CCO)cn2)cc1C(N)=O.
What is the InChIKey of 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide?
The InChIKey is HJKIGCODUYKCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-12-3-2-10(6-11(12)13(14)18)16-8-9(4-5-17)7-15-16/h2-3,6-8,17H,4-5H2,1H3,(H2,14,18).
What are the key properties of 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide?
5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide has a molecular weight of 261.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)pyrazol-1-yl]-2-methoxybenzamide is sourced from PubChem (CID 50948536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).