3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide

C15H29N5O — CID 51105446

IUPAC3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)N(C)C
InChIInChI=1S/C15H29N5O/c1-11(2)14-12(15(19(5)6)20(7)17-14)10-16-9-8-13(21)18(3)4/h11,16H,8-10H2,1-7H3
InChIKeyQZIKMCFVBRGNKH-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.18
Rot. Bonds7

About 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide

3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide (PubChem CID 51105446) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide
PubChem CID51105446
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)N(C)C
InChIInChI=1S/C15H29N5O/c1-11(2)14-12(15(19(5)6)20(7)17-14)10-16-9-8-13(21)18(3)4/h11,16H,8-10H2,1-7H3
InChIKeyQZIKMCFVBRGNKH-UHFFFAOYSA-N
XLogP1.18
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide (CID 51105446) is 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide is CC(C)c1nn(C)c(N(C)C)c1CNCCC(=O)N(C)C.
What is the InChIKey of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide?
The InChIKey is QZIKMCFVBRGNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-11(2)14-12(15(19(5)6)20(7)17-14)10-16-9-8-13(21)18(3)4/h11,16H,8-10H2,1-7H3.
What are the key properties of 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide?
3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 51105446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).