(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide

C15H20BrF2N5O — CID 51390078

IUPAC(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1c(CN(C)C(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C
InChIInChI=1S/C15H20BrF2N5O/c1-8-11(6-19-22(8)5)7-21(4)15(24)10(3)23-9(2)12(16)13(20-23)14(17)18/h6,10,14H,7H2,1-5H3/t10-/m1/s1
InChIKeyWBEXFXGSYBGDKO-SNVBAGLBSA-N
MW404.26 g/mol
LogP3.15
Rot. Bonds5

About (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide

(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 51390078) has the molecular formula C15H20BrF2N5O and a molecular weight of 404.26 g/mol. Its IUPAC name is (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID51390078
Molecular FormulaC15H20BrF2N5O
Molecular Weight404.26 g/mol
Exact Mass403.08
IUPAC Name(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1c(CN(C)C(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C
InChIInChI=1S/C15H20BrF2N5O/c1-8-11(6-19-22(8)5)7-21(4)15(24)10(3)23-9(2)12(16)13(20-23)14(17)18/h6,10,14H,7H2,1-5H3/t10-/m1/s1
InChIKeyWBEXFXGSYBGDKO-SNVBAGLBSA-N
XLogP3.15
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
CID 19460697
(2S)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390348
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278224
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19456413
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
CID 19456491
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536002
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390270
3-[(1,5-dimethylpyrazol-4-yl)methyl-ethylamino]butanoic acid
CID 79595998
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
CID 4769807
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536059
2-(azepan-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-oxoacetamide
CID 56877731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 51390078) is (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide is Cc1c(CN(C)C(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)cnn1C.
What is the InChIKey of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is WBEXFXGSYBGDKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20BrF2N5O/c1-8-11(6-19-22(8)5)7-21(4)15(24)10(3)23-9(2)12(16)13(20-23)14(17)18/h6,10,14H,7H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 404.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 51390078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).