3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide

C11H18BrN3O — CID 19564677

IUPAC3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)Cn1cc(Br)cn1
InChIInChI=1S/C11H18BrN3O/c1-4-9(3)14-11(16)8(2)6-15-7-10(12)5-13-15/h5,7-9H,4,6H2,1-3H3,(H,14,16)
InChIKeyAYZKPDZXAARQTJ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.20
Rot. Bonds5

About 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide

3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide (PubChem CID 19564677) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
PubChem CID19564677
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)Cn1cc(Br)cn1
InChIInChI=1S/C11H18BrN3O/c1-4-9(3)14-11(16)8(2)6-15-7-10(12)5-13-15/h5,7-9H,4,6H2,1-3H3,(H,14,16)
InChIKeyAYZKPDZXAARQTJ-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
CID 39735322
3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19564640
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide
CID 4773742
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
(2S)-1-(azepan-1-yl)-3-(4-bromopyrazol-1-yl)-2-methylpropan-1-one
CID 35527714
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
1-[(4-bromopyrazol-1-yl)methyl]-N-butan-2-ylpyrazole-3-carboxamide
CID 19271750
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide (CID 19564677) is 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide is CCC(C)NC(=O)C(C)Cn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide?
The InChIKey is AYZKPDZXAARQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-4-9(3)14-11(16)8(2)6-15-7-10(12)5-13-15/h5,7-9H,4,6H2,1-3H3,(H,14,16).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide?
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide has a molecular weight of 288.19 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide is sourced from PubChem (CID 19564677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).