2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

C18H18N4O — CID 22176805

IUPAC2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESNc1cc2ccccc2cc1CC(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N4O/c19-15-8-13-4-2-1-3-12(13)7-14(15)9-18(23)20-17-10-16(21-22-17)11-5-6-11/h1-4,7-8,10-11H,5-6,9,19H2,(H2,20,21,22,23)
InChIKeyOWUDYKIZSZRBFC-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds4

About 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (PubChem CID 22176805) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
PubChem CID22176805
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESNc1cc2ccccc2cc1CC(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N4O/c19-15-8-13-4-2-1-3-12(13)7-14(15)9-18(23)20-17-10-16(21-22-17)11-5-6-11/h1-4,7-8,10-11H,5-6,9,19H2,(H2,20,21,22,23)
InChIKeyOWUDYKIZSZRBFC-UHFFFAOYSA-N
XLogP3.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (CID 22176805) is 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is Nc1cc2ccccc2cc1CC(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is OWUDYKIZSZRBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-15-8-13-4-2-1-3-12(13)7-14(15)9-18(23)20-17-10-16(21-22-17)11-5-6-11/h1-4,7-8,10-11H,5-6,9,19H2,(H2,20,21,22,23).
What are the key properties of 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 22176805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).