4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one

C10H16ClN3O — CID 116555894

IUPAC4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
SMILESCc1nn(C)c(Cl)c1CC(=O)CC(C)N
InChIInChI=1S/C10H16ClN3O/c1-6(12)4-8(15)5-9-7(2)13-14(3)10(9)11/h6H,4-5,12H2,1-3H3
InChIKeyXSDKOBQPRULUSC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.23
Rot. Bonds4

About 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one

4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one (PubChem CID 116555894) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
PubChem CID116555894
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
SMILESCc1nn(C)c(Cl)c1CC(=O)CC(C)N
InChIInChI=1S/C10H16ClN3O/c1-6(12)4-8(15)5-9-7(2)13-14(3)10(9)11/h6H,4-5,12H2,1-3H3
InChIKeyXSDKOBQPRULUSC-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)heptan-2-one
CID 116607855
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965
6-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-one
CID 116571972
3-(aminomethyl)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methylpentan-2-one
CID 116573924
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(methylamino)butan-2-one
CID 116564972
1-(1-aminocyclopentyl)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)propan-2-one
CID 116578705
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-hydroxy-4,4-dimethylpentan-2-one
CID 103456367
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-ethoxybutan-2-one
CID 105128169
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-one
CID 116592681
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide
CID 104862063
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-pyridin-4-ylbutan-2-one
CID 105128123

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one?
The IUPAC name of 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one (CID 116555894) is 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one?
The canonical SMILES for 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one is Cc1nn(C)c(Cl)c1CC(=O)CC(C)N.
What is the InChIKey of 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one?
The InChIKey is XSDKOBQPRULUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6(12)4-8(15)5-9-7(2)13-14(3)10(9)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one?
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one has a molecular weight of 229.71 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one is sourced from PubChem (CID 116555894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).