N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide

C17H17N3O2 — CID 25284325

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H17N3O2/c1-11-8-16(20(2)19-11)18-17(21)14-9-12-6-4-5-7-13(12)10-15(14)22-3/h4-10H,1-3H3,(H,18,21)
InChIKeyNRMFVIJDXJDFKZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 25284325) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide
PubChem CID25284325
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H17N3O2/c1-11-8-16(20(2)19-11)18-17(21)14-9-12-6-4-5-7-13(12)10-15(14)22-3/h4-10H,1-3H3,(H,18,21)
InChIKeyNRMFVIJDXJDFKZ-UHFFFAOYSA-N
XLogP3.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide (CID 25284325) is N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cc(C)nn1C.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is NRMFVIJDXJDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-8-16(20(2)19-11)18-17(21)14-9-12-6-4-5-7-13(12)10-15(14)22-3/h4-10H,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 25284325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).