2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

C19H24N6O — CID 46984542

IUPAC2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(-c2ccccc2N)cn1
InChIInChI=1S/C19H24N6O/c1-19(2,3)16-9-17(24(4)23-16)22-18(26)12-25-11-13(10-21-25)14-7-5-6-8-15(14)20/h5-11H,12,20H2,1-4H3,(H,22,26)
InChIKeyXJAAJEBIAZWCLO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.80
Rot. Bonds4

About 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (PubChem CID 46984542) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
PubChem CID46984542
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(-c2ccccc2N)cn1
InChIInChI=1S/C19H24N6O/c1-19(2,3)16-9-17(24(4)23-16)22-18(26)12-25-11-13(10-21-25)14-7-5-6-8-15(14)20/h5-11H,12,20H2,1-4H3,(H,22,26)
InChIKeyXJAAJEBIAZWCLO-UHFFFAOYSA-N
XLogP2.80
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (CID 46984542) is 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is Cn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(-c2ccccc2N)cn1.
What is the InChIKey of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The InChIKey is XJAAJEBIAZWCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-19(2,3)16-9-17(24(4)23-16)22-18(26)12-25-11-13(10-21-25)14-7-5-6-8-15(14)20/h5-11H,12,20H2,1-4H3,(H,22,26).
What are the key properties of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 46984542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).