2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide

C15H18BrN3O — CID 100830551

IUPAC2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cc(-c2cccc(Br)c2)cn1
InChIInChI=1S/C15H18BrN3O/c1-3-11(2)18-15(20)10-19-9-13(8-17-19)12-5-4-6-14(16)7-12/h4-9,11H,3,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyIDJLBRNZXWOSKO-LLVKDONJSA-N
MW336.23 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide

2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide (PubChem CID 100830551) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide
PubChem CID100830551
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cc(-c2cccc(Br)c2)cn1
InChIInChI=1S/C15H18BrN3O/c1-3-11(2)18-15(20)10-19-9-13(8-17-19)12-5-4-6-14(16)7-12/h4-9,11H,3,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyIDJLBRNZXWOSKO-LLVKDONJSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide
CID 133150041
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 63338592
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate
CID 123549077
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
(2S)-2-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 119361792
1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone
CID 61035282
1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone
CID 60873121
1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 122560909

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The IUPAC name of 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide (CID 100830551) is 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide is CC[C@@H](C)NC(=O)Cn1cc(-c2cccc(Br)c2)cn1.
What is the InChIKey of 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide?
The InChIKey is IDJLBRNZXWOSKO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-11(2)18-15(20)10-19-9-13(8-17-19)12-5-4-6-14(16)7-12/h4-9,11H,3,10H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide?
2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide is sourced from PubChem (CID 100830551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).