2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide

C10H16BrN3O2 — CID 19537733

IUPAC2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C10H16BrN3O2/c1-8(14-7-9(11)6-13-14)10(15)12-4-3-5-16-2/h6-8H,3-5H2,1-2H3,(H,12,15)
InChIKeyNIOXAXDQOCYYNV-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.36
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide

2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 19537733) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
PubChem CID19537733
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C10H16BrN3O2/c1-8(14-7-9(11)6-13-14)10(15)12-4-3-5-16-2/h6-8H,3-5H2,1-2H3,(H,12,15)
InChIKeyNIOXAXDQOCYYNV-UHFFFAOYSA-N
XLogP1.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.36
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-methoxypropyl)propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide (CID 19537733) is 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is NIOXAXDQOCYYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-8(14-7-9(11)6-13-14)10(15)12-4-3-5-16-2/h6-8H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide?
2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 290.16 g/mol, XLogP of 1.36, 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-methoxypropyl)propanamide is sourced from PubChem (CID 19537733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).