3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C8H9BrF3N3O — CID 163304418

IUPAC3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCC(F)(F)F
InChIInChI=1S/C8H9BrF3N3O/c9-6-3-14-15(4-6)2-1-7(16)13-5-8(10,11)12/h3-4H,1-2,5H2,(H,13,16)
InChIKeyFQXTZLYPXJNJCB-UHFFFAOYSA-N
MW300.08 g/mol
LogP1.71
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 163304418) has the molecular formula C8H9BrF3N3O and a molecular weight of 300.08 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID163304418
Molecular FormulaC8H9BrF3N3O
Molecular Weight300.08 g/mol
Exact Mass298.99
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)NCC(F)(F)F
InChIInChI=1S/C8H9BrF3N3O/c9-6-3-14-15(4-6)2-1-7(16)13-5-8(10,11)12/h3-4H,1-2,5H2,(H,13,16)
InChIKeyFQXTZLYPXJNJCB-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
3-(4-Bromo-1H-pyrazol-1-yl)propanamide
CID 45791238
3-(4-bromo-1H-pyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 19584321
N-[2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]ethyl]-2,2-dimethylpropanamide
CID 86779530
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 67477589
[3-(4-Bromopyrazol-1-yl)-2-fluoropropyl]carbamic acid
CID 129251231
2-[(4-fluoropyrazol-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide
CID 176758025
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 176959961
N-ethyl-2-[(4-fluoropyrazol-1-yl)methyl]prop-2-enamide
CID 177014441
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4620639
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19282850

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 163304418) is 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCn1cc(Br)cn1)NCC(F)(F)F.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FQXTZLYPXJNJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3O/c9-6-3-14-15(4-6)2-1-7(16)13-5-8(10,11)12/h3-4H,1-2,5H2,(H,13,16).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(4-bromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 300.08 g/mol, XLogP of 1.71, 4 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-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 163304418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).