N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide

C10H16BrN3O2 — CID 147100031

IUPACN-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide
SMILESCOc1nn(C(C)(C)C)c(Br)c1NC(C)=O
InChIInChI=1S/C10H16BrN3O2/c1-6(15)12-7-8(11)14(10(2,3)4)13-9(7)16-5/h1-5H3,(H,12,15)
InChIKeyBKLZZFUDHGBAIE-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.37
Rot. Bonds2

About N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide

N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide (PubChem CID 147100031) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide
PubChem CID147100031
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC NameN-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide
SMILESCOc1nn(C(C)(C)C)c(Br)c1NC(C)=O
InChIInChI=1S/C10H16BrN3O2/c1-6(15)12-7-8(11)14(10(2,3)4)13-9(7)16-5/h1-5H3,(H,12,15)
InChIKeyBKLZZFUDHGBAIE-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butyl-3-fluoro-5-methoxypyrazol-4-yl)acetamide
CID 146379239
5-bromo-1-tert-butyl-4-chloro-3-methoxypyrazole
CID 153449714
N-(1-tert-butyl-5-chloro-3-fluoropyrazol-4-yl)acetamide
CID 146377919
4-bromo-1-tert-butyl-3,5-dimethoxypyrazole
CID 147500583
N-[3-bromo-2-(2-hydroxypropan-2-yl)-6-methoxyphenyl]acetamide
CID 117486520
1-tert-butyl-4,5-difluoro-3-methoxypyrazole
CID 146378578
methyl 1-(1-amino-2-methylpropan-2-yl)-3-bromopyrazole-5-carboxylate
CID 170327676
N-[4-(2,2-diphenylethyl)-2-methoxy-3-pyridinyl]acetamide
CID 11078515
[3-[2-(3-acetamido-2-methoxy-4-pyridinyl)ethyl]-6-bromo-2-fluorophenyl] acetate
CID 163714330
N-(3-bromo-4-methoxy-2,6-dimethylphenyl)acetamide
CID 155615406
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide?
The IUPAC name of N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide (CID 147100031) is N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide is COc1nn(C(C)(C)C)c(Br)c1NC(C)=O.
What is the InChIKey of N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide?
The InChIKey is BKLZZFUDHGBAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-6(15)12-7-8(11)14(10(2,3)4)13-9(7)16-5/h1-5H3,(H,12,15).
What are the key properties of N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide?
N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide has a molecular weight of 290.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-tert-butyl-3-methoxypyrazol-4-yl)acetamide is sourced from PubChem (CID 147100031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).