1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone

C12H18ClN3O — CID 116558902

IUPAC1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2(N)CCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-11(13)9(16(2)15-8)7-10(17)12(14)5-3-4-6-12/h3-7,14H2,1-2H3
InChIKeyUACGBKOYTBMJRK-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.77
Rot. Bonds3

About 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone

1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone (PubChem CID 116558902) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
PubChem CID116558902
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2(N)CCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-11(13)9(16(2)15-8)7-10(17)12(14)5-3-4-6-12/h3-7,14H2,1-2H3
InChIKeyUACGBKOYTBMJRK-UHFFFAOYSA-N
XLogP1.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116604206
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569815
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062584
1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116563242
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-ethylpentan-2-one
CID 116592816
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
CID 116581212
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
1-[1-(aminomethyl)cycloheptyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602069

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone (CID 116558902) is 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone is Cc1nn(C)c(CC(=O)C2(N)CCCC2)c1Cl.
What is the InChIKey of 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The InChIKey is UACGBKOYTBMJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-11(13)9(16(2)15-8)7-10(17)12(14)5-3-4-6-12/h3-7,14H2,1-2H3.
What are the key properties of 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone has a molecular weight of 255.75 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116558902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).