2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

C14H17N3O3 — CID 115579282

IUPAC2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(O)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C14H17N3O3/c1-20-11-4-5-13(18)12(10-11)14(19)15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,18H,2,6,8H2,1H3,(H,15,19)
InChIKeyYXXIGSNQEDCQDS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.42
Rot. Bonds6

About 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 115579282) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID115579282
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(O)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C14H17N3O3/c1-20-11-4-5-13(18)12(10-11)14(19)15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,18H,2,6,8H2,1H3,(H,15,19)
InChIKeyYXXIGSNQEDCQDS-UHFFFAOYSA-N
XLogP1.42
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 115579282) is 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is COc1ccc(O)c(C(=O)NCCCn2cccn2)c1.
What is the InChIKey of 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is YXXIGSNQEDCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-11-4-5-13(18)12(10-11)14(19)15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,18H,2,6,8H2,1H3,(H,15,19).
What are the key properties of 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 115579282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).