3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide

C16H16N4O — CID 61209522

IUPAC3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3cc2N)n(C)n1
InChIInChI=1S/C16H16N4O/c1-10-7-15(20(2)19-10)18-16(21)13-8-11-5-3-4-6-12(11)9-14(13)17/h3-9H,17H2,1-2H3,(H,18,21)
InChIKeyTWSCCEKIYCGZTO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.72
Rot. Bonds2

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

3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide (PubChem CID 61209522) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
PubChem CID61209522
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3cc2N)n(C)n1
InChIInChI=1S/C16H16N4O/c1-10-7-15(20(2)19-10)18-16(21)13-8-11-5-3-4-6-12(11)9-14(13)17/h3-9H,17H2,1-2H3,(H,18,21)
InChIKeyTWSCCEKIYCGZTO-UHFFFAOYSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103295770
5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 61090056
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 61207819
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide (CID 61209522) is 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide is Cc1cc(NC(=O)c2cc3ccccc3cc2N)n(C)n1.
What is the InChIKey of 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide?
The InChIKey is TWSCCEKIYCGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-7-15(20(2)19-10)18-16(21)13-8-11-5-3-4-6-12(11)9-14(13)17/h3-9H,17H2,1-2H3,(H,18,21).
What are the key properties of 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide?
3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 61209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).