(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide

C14H13BrF3N3O — CID 40648018

IUPAC(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H13BrF3N3O/c1-9(7-21-8-10(15)6-19-21)13(22)20-12-5-3-2-4-11(12)14(16,17)18/h2-6,8-9H,7H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyIAEPVLNABPSMTA-SECBINFHSA-N
MW376.18 g/mol
LogP3.94
Rot. Bonds4

About (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide

(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 40648018) has the molecular formula C14H13BrF3N3O and a molecular weight of 376.18 g/mol. Its IUPAC name is (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID40648018
Molecular FormulaC14H13BrF3N3O
Molecular Weight376.18 g/mol
Exact Mass375.02
IUPAC Name(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H13BrF3N3O/c1-9(7-21-8-10(15)6-19-21)13(22)20-12-5-3-2-4-11(12)14(16,17)18/h2-6,8-9H,7H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyIAEPVLNABPSMTA-SECBINFHSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 35529843
(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528025
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528028
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 19564609
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19566285
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
CID 39735322
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62853226
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 40648018) is (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide is C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IAEPVLNABPSMTA-SECBINFHSA-N. The full InChI is InChI=1S/C14H13BrF3N3O/c1-9(7-21-8-10(15)6-19-21)13(22)20-12-5-3-2-4-11(12)14(16,17)18/h2-6,8-9H,7H2,1H3,(H,20,22)/t9-/m1/s1.
What are the key properties of (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 376.18 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 40648018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).