1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one

C11H18ClN3O — CID 115345653

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
SMILESCc1nn(C)c(CC(=O)CCN(C)C)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-8-11(12)10(15(4)13-8)7-9(16)5-6-14(2)3/h5-7H2,1-4H3
InChIKeyRAKWZTUHXTYJEA-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.45
Rot. Bonds5

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one (PubChem CID 115345653) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
PubChem CID115345653
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
SMILESCc1nn(C)c(CC(=O)CCN(C)C)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-8-11(12)10(15(4)13-8)7-9(16)5-6-14(2)3/h5-7H2,1-4H3
InChIKeyRAKWZTUHXTYJEA-UHFFFAOYSA-N
XLogP1.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-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

5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
1-(4-chloro-1,3-dimethylpyrazol-5-yl)heptan-2-one
CID 114979229
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-cyclohexylbutan-2-one
CID 114979075
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-methylbutan-2-one
CID 116560270
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-5,5-dimethylhexan-2-one
CID 116608588
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114979149
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114979203
1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 114979201
1-(4-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-one
CID 66057256
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-ethylpentan-2-one
CID 116592816
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one (CID 115345653) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one is Cc1nn(C)c(CC(=O)CCN(C)C)c1Cl.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one?
The InChIKey is RAKWZTUHXTYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8-11(12)10(15(4)13-8)7-9(16)5-6-14(2)3/h5-7H2,1-4H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one has a molecular weight of 243.74 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one is sourced from PubChem (CID 115345653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).