4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one

C15H26ClN3O — CID 116573649

IUPAC4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
SMILESCCc1nn(CC)c(CC(=O)C(C)(C)C(C)(C)N)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-7-10-13(16)11(19(8-2)18-10)9-12(20)14(3,4)15(5,6)17/h7-9,17H2,1-6H3
InChIKeyYIXAYRYABJFKDB-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.99
Rot. Bonds6

About 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one

4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one (PubChem CID 116573649) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
PubChem CID116573649
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
SMILESCCc1nn(CC)c(CC(=O)C(C)(C)C(C)(C)N)c1Cl
InChIInChI=1S/C15H26ClN3O/c1-7-10-13(16)11(19(8-2)18-10)9-12(20)14(3,4)15(5,6)17/h7-9,17H2,1-6H3
InChIKeyYIXAYRYABJFKDB-UHFFFAOYSA-N
XLogP2.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-one
CID 116708338
7-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-5,5-dimethylheptan-2-one
CID 116574846
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116590517
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4,6,6-trimethylheptan-2-one
CID 115778561
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458608
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562558
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethylhex-3-en-2-one
CID 103458953
8-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)octan-2-one
CID 116551505
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
The IUPAC name of 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one (CID 116573649) is 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one.
What is the SMILES notation for 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
The canonical SMILES for 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one is CCc1nn(CC)c(CC(=O)C(C)(C)C(C)(C)N)c1Cl.
What is the InChIKey of 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
The InChIKey is YIXAYRYABJFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-7-10-13(16)11(19(8-2)18-10)9-12(20)14(3,4)15(5,6)17/h7-9,17H2,1-6H3.
What are the key properties of 4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one?
4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one has a molecular weight of 299.85 g/mol, XLogP of 2.99, 6 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-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one is sourced from PubChem (CID 116573649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).