N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide

C9H13BrFN3O — CID 131114986

IUPACN-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCn1cc(Br)c(CNC(=O)C(C)(C)F)n1
InChIInChI=1S/C9H13BrFN3O/c1-9(2,11)8(15)12-4-7-6(10)5-14(3)13-7/h5H,4H2,1-3H3,(H,12,15)
InChIKeyBBWXOJWDVWCODS-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.55
Rot. Bonds3

About N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide

N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide (PubChem CID 131114986) has the molecular formula C9H13BrFN3O and a molecular weight of 278.12 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
PubChem CID131114986
Molecular FormulaC9H13BrFN3O
Molecular Weight278.12 g/mol
Exact Mass277.02
IUPAC NameN-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCn1cc(Br)c(CNC(=O)C(C)(C)F)n1
InChIInChI=1S/C9H13BrFN3O/c1-9(2,11)8(15)12-4-7-6(10)5-14(3)13-7/h5H,4H2,1-3H3,(H,12,15)
InChIKeyBBWXOJWDVWCODS-UHFFFAOYSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-bromo-3-[({[(methylamino)carbonyl]oxy}imino)methyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-1-one
CID 5807339
[[4-bromo-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]methylideneamino] N-methylcarbamate
CID 2727169
[(4-Bromo-1-ethylpyrazol-3-yl)methyl]methylamine
CID 7017502
tert-butyl N-((4-bromo-1-methyl-1H-pyrazol-5-yl)methyl)carbamate
CID 125511659
[(E)-(1-acetyl-4-bromopyrazol-3-yl)methylideneamino] N-methylcarbamate
CID 5807338
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]propanamide
CID 17023016
3-(4-bromo-3-methylpyrazolyl)-N-cyclopentylpropanamide
CID 19584292
(2S)-2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 40441239
N-((1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl)-2,2,2-trifluoroacetamide
CID 4437626
2-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 144506031
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 19288476
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide
CID 19296484

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide (CID 131114986) is N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide is Cn1cc(Br)c(CNC(=O)C(C)(C)F)n1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
The InChIKey is BBWXOJWDVWCODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrFN3O/c1-9(2,11)8(15)12-4-7-6(10)5-14(3)13-7/h5H,4H2,1-3H3,(H,12,15).
What are the key properties of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide has a molecular weight of 278.12 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 131114986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).