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

C12H18ClN3O2 — CID 116563242

IUPAC1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2(C)COCC2N)c1Cl
InChIInChI=1S/C12H18ClN3O2/c1-7-11(13)8(16(3)15-7)4-10(17)12(2)6-18-5-9(12)14/h9H,4-6,14H2,1-3H3
InChIKeyJYAFNVIIZAXJNO-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.86
Rot. Bonds3

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

1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone (PubChem CID 116563242) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
PubChem CID116563242
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2(C)COCC2N)c1Cl
InChIInChI=1S/C12H18ClN3O2/c1-7-11(13)8(16(3)15-7)4-10(17)12(2)6-18-5-9(12)14/h9H,4-6,14H2,1-3H3
InChIKeyJYAFNVIIZAXJNO-UHFFFAOYSA-N
XLogP0.86
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116558902
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116604206
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062584
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
CID 115345653
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
CID 116581212
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-ethylpentan-2-one
CID 116592816
ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
1-(4-amino-3-methyloxolan-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116563204
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone
CID 107187121

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone (CID 116563242) is 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone is Cc1nn(C)c(CC(=O)C2(C)COCC2N)c1Cl.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
The InChIKey is JYAFNVIIZAXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-7-11(13)8(16(3)15-7)4-10(17)12(2)6-18-5-9(12)14/h9H,4-6,14H2,1-3H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone?
1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone has a molecular weight of 271.75 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolan-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116563242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).