N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide

C17H17N3O — CID 30183164

IUPACN-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N3O/c1-12(2)20-16(9-10-18-20)19-17(21)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,19,21)
InChIKeyHOMWPZGDXSPLPY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.87
Rot. Bonds3

About N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide

N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide (PubChem CID 30183164) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
PubChem CID30183164
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N3O/c1-12(2)20-16(9-10-18-20)19-17(21)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,19,21)
InChIKeyHOMWPZGDXSPLPY-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
(3R)-1-oxo-3-phenyl-N-(2-propan-2-ylpyrazol-3-yl)-3,4-dihydroisochromene-6-carboxamide
CID 30187101
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382
1-oxo-N-(2-propan-2-ylpyrazol-3-yl)-2H-isoquinoline-3-carboxamide
CID 86978036
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186458
2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 62186958
4-methylsulfanyl-3-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30181993
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 47151732
4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183451

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide (CID 30183164) is N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide is CC(C)n1nccc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
The InChIKey is HOMWPZGDXSPLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(2)20-16(9-10-18-20)19-17(21)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,19,21).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 30183164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).