2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide

C11H19BrN4O — CID 19537575

IUPAC2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C)n1cc(Br)cn1
InChIInChI=1S/C11H19BrN4O/c1-9(16-8-10(12)7-14-16)11(17)13-5-4-6-15(2)3/h7-9H,4-6H2,1-3H3,(H,13,17)
InChIKeyYJLINVFPCNWPIF-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.27
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 19537575) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID19537575
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C)n1cc(Br)cn1
InChIInChI=1S/C11H19BrN4O/c1-9(16-8-10(12)7-14-16)11(17)13-5-4-6-15(2)3/h7-9H,4-6H2,1-3H3,(H,13,17)
InChIKeyYJLINVFPCNWPIF-UHFFFAOYSA-N
XLogP1.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide (CID 19537575) is 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide is CC(C(=O)NCCCN(C)C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is YJLINVFPCNWPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-9(16-8-10(12)7-14-16)11(17)13-5-4-6-15(2)3/h7-9H,4-6H2,1-3H3,(H,13,17).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 303.20 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 19537575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).