4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one

C13H21N3O — CID 116556039

IUPAC4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10(14)8-13(17)9-11-6-7-16(15-11)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,14H2,1H3
InChIKeyQLBQEYFZMYOJEO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.85
Rot. Bonds5

About 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one

4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one (PubChem CID 116556039) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
PubChem CID116556039
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10(14)8-13(17)9-11-6-7-16(15-11)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,14H2,1H3
InChIKeyQLBQEYFZMYOJEO-UHFFFAOYSA-N
XLogP1.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
CID 116552125
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
CID 81190022
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601706

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one?
The IUPAC name of 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one (CID 116556039) is 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one?
The canonical SMILES for 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one is CC(N)CC(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one?
The InChIKey is QLBQEYFZMYOJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)8-13(17)9-11-6-7-16(15-11)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,14H2,1H3.
What are the key properties of 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one?
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one is sourced from PubChem (CID 116556039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).