3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one

C9H15N3O — CID 115345752

IUPAC3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCN(C)CCC(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O/c1-11(2)7-5-9(13)8-4-6-10-12(8)3/h4,6H,5,7H2,1-3H3
InChIKeyFSEUOVBFRCKEBE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.55
Rot. Bonds4

About 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one

3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 115345752) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID115345752
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCN(C)CCC(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O/c1-11(2)7-5-9(13)8-4-6-10-12(8)3/h4,6H,5,7H2,1-3H3
InChIKeyFSEUOVBFRCKEBE-UHFFFAOYSA-N
XLogP0.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-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

3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 79078086
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
1-(2-methylpyrazol-3-yl)dodecan-1-one
CID 114972635
1-(2-methylpyrazol-3-yl)-4-methylsulfonylbutan-1-one
CID 105084216
6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116574723
3-(4-aminophenyl)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116605383
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604
N-(2-chloroethyl)-N,2-dimethylpyrazole-3-carboxamide
CID 63391388
potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
CID 154702947
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentane-1,3-dione
CID 106758284

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one (CID 115345752) is 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one is CN(C)CCC(=O)c1ccnn1C.
What is the InChIKey of 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is FSEUOVBFRCKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-11(2)7-5-9(13)8-4-6-10-12(8)3/h4,6H,5,7H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 115345752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).