1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone

C11H11N3O — CID 13303397

IUPAC1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone
SMILESCC(=O)c1[nH]nc(-c2ccccc2)c1N
InChIInChI=1S/C11H11N3O/c1-7(15)10-9(12)11(14-13-10)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,14)
InChIKeyRTDIMUUEPOFOEK-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone

1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone (PubChem CID 13303397) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone
PubChem CID13303397
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone
SMILESCC(=O)c1[nH]nc(-c2ccccc2)c1N
InChIInChI=1S/C11H11N3O/c1-7(15)10-9(12)11(14-13-10)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,14)
InChIKeyRTDIMUUEPOFOEK-UHFFFAOYSA-N
XLogP1.86
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
5-Phenyl-1H-pyrazole-3-carbaldehyde
CID 575563
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 3116416
3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 53017439
3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 701924
1H-Pyrazole-3-carboxylic acid, 4-amino-5-methyl-, 2-(4-methylphenyl)hydrazide
CID 3067263
Ketone, 4-amino-5-phenyl-3-pyrazolyl phenyl
CID 13303395
5-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 49842920
Ketone, phenyl 5-phenylpyrazol-3-yl
CID 619103
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 10777890
3-(4-ethylphenyl)-1H-pyrazole-5-carbohydrazide
CID 4577338

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone (CID 13303397) is 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone is CC(=O)c1[nH]nc(-c2ccccc2)c1N.
What is the InChIKey of 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone?
The InChIKey is RTDIMUUEPOFOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7(15)10-9(12)11(14-13-10)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone?
1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone has a molecular weight of 201.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 13303397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).