2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone

C11H16ClN3O — CID 114669615

IUPAC2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
SMILESCn1ncc(Cl)c1C(=O)CC1(N)CCCC1
InChIInChI=1S/C11H16ClN3O/c1-15-10(8(12)7-14-15)9(16)6-11(13)4-2-3-5-11/h7H,2-6,13H2,1H3
InChIKeyQEYHGMXUNQNRLW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.92
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone

2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone (PubChem CID 114669615) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
PubChem CID114669615
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
SMILESCn1ncc(Cl)c1C(=O)CC1(N)CCCC1
InChIInChI=1S/C11H16ClN3O/c1-15-10(8(12)7-14-15)9(16)6-11(13)4-2-3-5-11/h7H,2-6,13H2,1H3
InChIKeyQEYHGMXUNQNRLW-UHFFFAOYSA-N
XLogP1.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114669462
2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114670623
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
CID 114641258
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114671327
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone (CID 114669615) is 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone is Cn1ncc(Cl)c1C(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The InChIKey is QEYHGMXUNQNRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15-10(8(12)7-14-15)9(16)6-11(13)4-2-3-5-11/h7H,2-6,13H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone has a molecular weight of 241.72 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114669615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).