1-(3-amino-5-phenylpyrazol-1-yl)ethanone

C11H11N3O — CID 110868177

IUPAC1-(3-amino-5-phenylpyrazol-1-yl)ethanone
SMILESCC(=O)n1nc(N)cc1-c1ccccc1
InChIInChI=1S/C11H11N3O/c1-8(15)14-10(7-11(12)13-14)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13)
InChIKeyXZKXPFLDYGPLIM-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.79
Rot. Bonds1

About 1-(3-amino-5-phenylpyrazol-1-yl)ethanone

1-(3-amino-5-phenylpyrazol-1-yl)ethanone (PubChem CID 110868177) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(3-amino-5-phenylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-phenylpyrazol-1-yl)ethanone
PubChem CID110868177
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(3-amino-5-phenylpyrazol-1-yl)ethanone
SMILESCC(=O)n1nc(N)cc1-c1ccccc1
InChIInChI=1S/C11H11N3O/c1-8(15)14-10(7-11(12)13-14)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13)
InChIKeyXZKXPFLDYGPLIM-UHFFFAOYSA-N
XLogP1.79
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-phenylpyrazole-1-carboxylate
CID 110868199
1-(3-amino-5-phenylpyrazol-1-yl)butan-1-one
CID 110868180
(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone
CID 110868208
[4-(1-acetyl-5-phenylpyrazol-3-yl)phenyl] acetate
CID 118529484
1-(2,3,5-triphenylpyrrol-1-yl)ethanone
CID 102223207
ethyl 3-[3-(1-ethoxycarbonyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole-1-carboxylate
CID 118529532
1-[5-[4-(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazol-1-yl]ethanone
CID 118927380
1-benzylsulfonyl-5-phenylpyrazol-3-amine
CID 110868223
3,5-diaminopyrazole-1-carboxylic acid
CID 67419076
2-acetyl-6-phenyl-1,2,4-triazine-3,5-dione
CID 59496098
[3-amino-5-(4-fluorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175914386
[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175914383

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-phenylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3-amino-5-phenylpyrazol-1-yl)ethanone (CID 110868177) is 1-(3-amino-5-phenylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-phenylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-phenylpyrazol-1-yl)ethanone is CC(=O)n1nc(N)cc1-c1ccccc1.
What is the InChIKey of 1-(3-amino-5-phenylpyrazol-1-yl)ethanone?
The InChIKey is XZKXPFLDYGPLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8(15)14-10(7-11(12)13-14)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13).
What are the key properties of 1-(3-amino-5-phenylpyrazol-1-yl)ethanone?
1-(3-amino-5-phenylpyrazol-1-yl)ethanone has a molecular weight of 201.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-phenylpyrazol-1-yl)ethanone is sourced from PubChem (CID 110868177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).