2-(4-bromopyrazol-1-yl)-N-propylpropanamide

C9H14BrN3O — CID 19537573

IUPAC2-(4-bromopyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-3-4-11-9(14)7(2)13-6-8(10)5-12-13/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyJMCKPNCDDDQZQY-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-propylpropanamide

2-(4-bromopyrazol-1-yl)-N-propylpropanamide (PubChem CID 19537573) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-propylpropanamide
PubChem CID19537573
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-3-4-11-9(14)7(2)13-6-8(10)5-12-13/h5-7H,3-4H2,1-2H3,(H,11,14)
InChIKeyJMCKPNCDDDQZQY-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-propylpropanamide (CID 19537573) is 2-(4-bromopyrazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-propylpropanamide?
The InChIKey is JMCKPNCDDDQZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-3-4-11-9(14)7(2)13-6-8(10)5-12-13/h5-7H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-propylpropanamide?
2-(4-bromopyrazol-1-yl)-N-propylpropanamide has a molecular weight of 260.13 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 19537573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).