2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide

C14H18N4O — CID 63338077

IUPAC2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cc(-c2ccccc2N)cn1
InChIInChI=1S/C14H18N4O/c1-3-16-14(19)10(2)18-9-11(8-17-18)12-6-4-5-7-13(12)15/h4-10H,3,15H2,1-2H3,(H,16,19)
InChIKeyCZFFENRZHOOIPB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds4

About 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide

2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide (PubChem CID 63338077) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
PubChem CID63338077
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cc(-c2ccccc2N)cn1
InChIInChI=1S/C14H18N4O/c1-3-16-14(19)10(2)18-9-11(8-17-18)12-6-4-5-7-13(12)15/h4-10H,3,15H2,1-2H3,(H,16,19)
InChIKeyCZFFENRZHOOIPB-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethylpropanamide?
The IUPAC name of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide (CID 63338077) is 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide is CCNC(=O)C(C)n1cc(-c2ccccc2N)cn1.
What is the InChIKey of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide?
The InChIKey is CZFFENRZHOOIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-16-14(19)10(2)18-9-11(8-17-18)12-6-4-5-7-13(12)15/h4-10H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide?
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 63338077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).