(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide

C14H15BrF3N5O — CID 51422477

IUPAC(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1ccn[nH]1)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C14H15BrF3N5O/c1-7(13(24)19-6-9-4-5-20-21-9)23-11(8-2-3-8)10(15)12(22-23)14(16,17)18/h4-5,7-8H,2-3,6H2,1H3,(H,19,24)(H,20,21)/t7-/m0/s1
InChIKeyYKCHAKVLWSLZKZ-ZETCQYMHSA-N
MW406.21 g/mol
LogP3.14
Rot. Bonds5

About (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide

(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 51422477) has the molecular formula C14H15BrF3N5O and a molecular weight of 406.21 g/mol. Its IUPAC name is (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID51422477
Molecular FormulaC14H15BrF3N5O
Molecular Weight406.21 g/mol
Exact Mass405.04
IUPAC Name(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1ccn[nH]1)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C14H15BrF3N5O/c1-7(13(24)19-6-9-4-5-20-21-9)23-11(8-2-3-8)10(15)12(22-23)14(16,17)18/h4-5,7-8H,2-3,6H2,1H3,(H,19,24)(H,20,21)/t7-/m0/s1
InChIKeyYKCHAKVLWSLZKZ-ZETCQYMHSA-N
XLogP3.14
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.21
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 4772082
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 19532801
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyethyl)propanamide
CID 19532767
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 19532808
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide
CID 19532961
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19532714
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19532762
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19532978
(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 40599289
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 19532696
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 19532952
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19532900

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 51422477) is (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide is C[C@@H](C(=O)NCc1ccn[nH]1)n1nc(C(F)(F)F)c(Br)c1C1CC1.
What is the InChIKey of (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is YKCHAKVLWSLZKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H15BrF3N5O/c1-7(13(24)19-6-9-4-5-20-21-9)23-11(8-2-3-8)10(15)12(22-23)14(16,17)18/h4-5,7-8H,2-3,6H2,1H3,(H,19,24)(H,20,21)/t7-/m0/s1.
What are the key properties of (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
(2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 406.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 51422477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).