N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide

C16H15N3O2 — CID 71939309

IUPACN-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)c1ccn[nH]1
InChIInChI=1S/C16H15N3O2/c20-16(14-8-9-18-19-14)17-10-11-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyOHSSXKRGYCIVTN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.37
Rot. Bonds5

About N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide

N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide (PubChem CID 71939309) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide
PubChem CID71939309
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)c1ccn[nH]1
InChIInChI=1S/C16H15N3O2/c20-16(14-8-9-18-19-14)17-10-11-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyOHSSXKRGYCIVTN-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
CID 55889774
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
3-(methanesulfonamido)-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 94559214
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
CID 52822289
2-(2-methoxyethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide;hydrochloride
CID 119738774
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide (CID 71939309) is N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide is O=C(NCCOc1cccc2ccccc12)c1ccn[nH]1.
What is the InChIKey of N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OHSSXKRGYCIVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(14-8-9-18-19-14)17-10-11-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-9H,10-11H2,(H,17,20)(H,18,19).
What are the key properties of N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide?
N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71939309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).