2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide

C10H17BrN4O — CID 61174849

IUPAC2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1cc(Br)c(N)n1
InChIInChI=1S/C10H17BrN4O/c1-6(2)4-13-10(16)7(3)15-5-8(11)9(12)14-15/h5-7H,4H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyCONNUZMKNYSLRU-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.56
Rot. Bonds4

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

2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 61174849) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID61174849
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1cc(Br)c(N)n1
InChIInChI=1S/C10H17BrN4O/c1-6(2)4-13-10(16)7(3)15-5-8(11)9(12)14-15/h5-7H,4H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyCONNUZMKNYSLRU-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide (CID 61174849) is 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)n1cc(Br)c(N)n1.
What is the InChIKey of 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is CONNUZMKNYSLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-6(2)4-13-10(16)7(3)15-5-8(11)9(12)14-15/h5-7H,4H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide?
2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 289.18 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromopyrazol-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 61174849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).