(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide

C14H16BrN3O2 — CID 95162014

IUPAC(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
SMILESCC[C@@H](OC)C(=O)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C14H16BrN3O2/c1-3-13(20-2)14(19)17-11-6-4-5-7-12(11)18-9-10(15)8-16-18/h4-9,13H,3H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyHQOISKHVZRMYEC-CYBMUJFWSA-N
MW338.21 g/mol
LogP3.00
Rot. Bonds5

About (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide

(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide (PubChem CID 95162014) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
PubChem CID95162014
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
SMILESCC[C@@H](OC)C(=O)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C14H16BrN3O2/c1-3-13(20-2)14(19)17-11-6-4-5-7-12(11)18-9-10(15)8-16-18/h4-9,13H,3H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyHQOISKHVZRMYEC-CYBMUJFWSA-N
XLogP3.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
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N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75878285
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
CID 119353171
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51118797
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55699495
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55699275
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 154836216
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 75878290

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide?
The IUPAC name of (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide (CID 95162014) is (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide.
What is the SMILES notation for (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide?
The canonical SMILES for (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide is CC[C@@H](OC)C(=O)Nc1ccccc1-n1cc(Br)cn1.
What is the InChIKey of (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide?
The InChIKey is HQOISKHVZRMYEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-13(20-2)14(19)17-11-6-4-5-7-12(11)18-9-10(15)8-16-18/h4-9,13H,3H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide?
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide has a molecular weight of 338.21 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide is sourced from PubChem (CID 95162014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).