N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide

C17H16N4O — CID 2118092

IUPACN-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O/c1-12(22)19-14-9-7-13(8-10-14)16-11-17(18)21(20-16)15-5-3-2-4-6-15/h2-11H,18H2,1H3,(H,19,22)
InChIKeyKDEJJDHTTHIBNN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.08
Rot. Bonds3

About N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide

N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide (PubChem CID 2118092) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
PubChem CID2118092
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O/c1-12(22)19-14-9-7-13(8-10-14)16-11-17(18)21(20-16)15-5-3-2-4-6-15/h2-11H,18H2,1H3,(H,19,22)
InChIKeyKDEJJDHTTHIBNN-UHFFFAOYSA-N
XLogP3.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide (CID 2118092) is N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide?
The InChIKey is KDEJJDHTTHIBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12(22)19-14-9-7-13(8-10-14)16-11-17(18)21(20-16)15-5-3-2-4-6-15/h2-11H,18H2,1H3,(H,19,22).
What are the key properties of N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide?
N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 2118092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).