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

C11H18ClN3O — CID 116581212

IUPAC4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
SMILESCc1nn(C)c(CC(=O)CC(C)(C)N)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-7-10(12)9(15(4)14-7)5-8(16)6-11(2,3)13/h5-6,13H2,1-4H3
InChIKeyIMQKQMDMIFPFFQ-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.62
Rot. Bonds4

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

4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one (PubChem CID 116581212) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
PubChem CID116581212
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
SMILESCc1nn(C)c(CC(=O)CC(C)(C)N)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-7-10(12)9(15(4)14-7)5-8(16)6-11(2,3)13/h5-6,13H2,1-4H3
InChIKeyIMQKQMDMIFPFFQ-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-5,5-dimethylhexan-2-one
CID 116608588
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-ethylpentan-2-one
CID 116592816
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
CID 115345653
1-(4-chloro-1,3-dimethylpyrazol-5-yl)heptan-2-one
CID 114979229
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-methylsulfonylbutan-2-one
CID 114979104
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114979203
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-cyclohexylbutan-2-one
CID 114979075
1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116558902
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571176
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one
CID 105108649

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one (CID 116581212) is 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one is Cc1nn(C)c(CC(=O)CC(C)(C)N)c1Cl.
What is the InChIKey of 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one?
The InChIKey is IMQKQMDMIFPFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-7-10(12)9(15(4)14-7)5-8(16)6-11(2,3)13/h5-6,13H2,1-4H3.
What are the key properties of 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one?
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one has a molecular weight of 243.74 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one is sourced from PubChem (CID 116581212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).