3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide

C7H11BrN4O — CID 62324609

IUPAC3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cc(Br)c(N)n1
InChIInChI=1S/C7H11BrN4O/c1-10-6(13)2-3-12-4-5(8)7(9)11-12/h4H,2-3H2,1H3,(H2,9,11)(H,10,13)
InChIKeyRDWHSMANKLAXLF-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.36
Rot. Bonds3

About 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide

3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide (PubChem CID 62324609) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide
PubChem CID62324609
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cc(Br)c(N)n1
InChIInChI=1S/C7H11BrN4O/c1-10-6(13)2-3-12-4-5(8)7(9)11-12/h4H,2-3H2,1H3,(H2,9,11)(H,10,13)
InChIKeyRDWHSMANKLAXLF-UHFFFAOYSA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide (CID 62324609) is 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide is CNC(=O)CCn1cc(Br)c(N)n1.
What is the InChIKey of 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide?
The InChIKey is RDWHSMANKLAXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-10-6(13)2-3-12-4-5(8)7(9)11-12/h4H,2-3H2,1H3,(H2,9,11)(H,10,13).
What are the key properties of 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide?
3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide has a molecular weight of 247.10 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 62324609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).