3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide

C13H23ClN4O — CID 115584824

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1c(C)nn(C)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-18(6-2)12(19)7-8-15-9-11-10(3)16-17(4)13(11)14/h15H,5-9H2,1-4H3
InChIKeyRAFLUPQKWZQMNK-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.73
Rot. Bonds7

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide (PubChem CID 115584824) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
PubChem CID115584824
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1c(C)nn(C)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-18(6-2)12(19)7-8-15-9-11-10(3)16-17(4)13(11)14/h15H,5-9H2,1-4H3
InChIKeyRAFLUPQKWZQMNK-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide
CID 115595850
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 115576208
3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
CID 54935527
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 62351352
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 115621471
methyl 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 62013204
N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 61452073
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 115576248
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642869

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide (CID 115584824) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCc1c(C)nn(C)c1Cl.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide?
The InChIKey is RAFLUPQKWZQMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-5-18(6-2)12(19)7-8-15-9-11-10(3)16-17(4)13(11)14/h15H,5-9H2,1-4H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide has a molecular weight of 286.81 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 115584824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).