2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone

C11H16ClN3O — CID 114670623

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
SMILESCn1ncc(Cl)c1C(=O)CC1(CN)CCC1
InChIInChI=1S/C11H16ClN3O/c1-15-10(8(12)6-14-15)9(16)5-11(7-13)3-2-4-11/h6H,2-5,7,13H2,1H3
InChIKeyLAAYTDMYLVOUNV-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone (PubChem CID 114670623) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
PubChem CID114670623
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
SMILESCn1ncc(Cl)c1C(=O)CC1(CN)CCC1
InChIInChI=1S/C11H16ClN3O/c1-15-10(8(12)6-14-15)9(16)5-11(7-13)3-2-4-11/h6H,2-5,7,13H2,1H3
InChIKeyLAAYTDMYLVOUNV-UHFFFAOYSA-N
XLogP1.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114671327
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
1-(4-chloro-1-methylpyrazol-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114669462
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
CID 114640025
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269
2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
CID 116599367
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone (CID 114670623) is 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone is Cn1ncc(Cl)c1C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
The InChIKey is LAAYTDMYLVOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15-10(8(12)6-14-15)9(16)5-11(7-13)3-2-4-11/h6H,2-5,7,13H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone has a molecular weight of 241.72 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114670623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).