2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide

C13H15N3O3 — CID 61460888

IUPAC2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NCCn2cccn2)c1O
InChIInChI=1S/C13H15N3O3/c1-19-11-5-2-4-10(12(11)17)13(18)14-7-9-16-8-3-6-15-16/h2-6,8,17H,7,9H2,1H3,(H,14,18)
InChIKeyMIBVOGQFNNGDSK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.03
Rot. Bonds5

About 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide

2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 61460888) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID61460888
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NCCn2cccn2)c1O
InChIInChI=1S/C13H15N3O3/c1-19-11-5-2-4-10(12(11)17)13(18)14-7-9-16-8-3-6-15-16/h2-6,8,17H,7,9H2,1H3,(H,14,18)
InChIKeyMIBVOGQFNNGDSK-UHFFFAOYSA-N
XLogP1.03
TPSA76.38 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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
2-hydroxy-3-methoxy-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 61149422
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
2-hydroxy-3-methoxy-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103721972
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 61460888) is 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide is COc1cccc(C(=O)NCCn2cccn2)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is MIBVOGQFNNGDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-11-5-2-4-10(12(11)17)13(18)14-7-9-16-8-3-6-15-16/h2-6,8,17H,7,9H2,1H3,(H,14,18).
What are the key properties of 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide?
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 61460888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).