N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide

C11H12N4O — CID 62881877

IUPACN-[2-(4-aminophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1-c1ccc(N)cc1
InChIInChI=1S/C11H12N4O/c1-8(16)14-11-6-7-13-15(11)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,14,16)
InChIKeyVVJYCOIQCRIMAK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.41
Rot. Bonds2

About N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide

N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide (PubChem CID 62881877) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)pyrazol-3-yl]acetamide
PubChem CID62881877
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-[2-(4-aminophenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1-c1ccc(N)cc1
InChIInChI=1S/C11H12N4O/c1-8(16)14-11-6-7-13-15(11)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,14,16)
InChIKeyVVJYCOIQCRIMAK-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide (CID 62881877) is N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide is CC(=O)Nc1ccnn1-c1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide?
The InChIKey is VVJYCOIQCRIMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8(16)14-11-6-7-13-15(11)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide?
N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide has a molecular weight of 216.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 62881877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).