(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide

C15H20BrF2N5O — CID 51390270

IUPAC(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)F)c(Br)c1C
InChIInChI=1S/C15H20BrF2N5O/c1-7(11-6-22(5)20-8(11)2)19-15(24)10(4)23-9(3)12(16)13(21-23)14(17)18/h6-7,10,14H,1-5H3,(H,19,24)/t7-,10+/m0/s1
InChIKeyLYIUBPPBLUSKCC-OIBJUYFYSA-N
MW404.26 g/mol
LogP3.37
Rot. Bonds5

About (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide

(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 51390270) 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-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID51390270
Molecular FormulaC15H20BrF2N5O
Molecular Weight404.26 g/mol
Exact Mass403.08
IUPAC Name(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)F)c(Br)c1C
InChIInChI=1S/C15H20BrF2N5O/c1-7(11-6-22(5)20-8(11)2)19-15(24)10(4)23-9(3)12(16)13(21-23)14(17)18/h6-7,10,14H,1-5H3,(H,19,24)/t7-,10+/m0/s1
InChIKeyLYIUBPPBLUSKCC-OIBJUYFYSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390348
2-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489681
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)propanamide
CID 4769807
(2R)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 124737701
(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 124737702
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 119741052
(2S)-2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51390032
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 51390078
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 4771819
tert-butyl N-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]carbamate
CID 107236845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide (CID 51390270) is (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide is Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)F)c(Br)c1C.
What is the InChIKey of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is LYIUBPPBLUSKCC-OIBJUYFYSA-N. The full InChI is InChI=1S/C15H20BrF2N5O/c1-7(11-6-22(5)20-8(11)2)19-15(24)10(4)23-9(3)12(16)13(21-23)14(17)18/h6-7,10,14H,1-5H3,(H,19,24)/t7-,10+/m0/s1.
What are the key properties of (2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide?
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 404.26 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 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-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 51390270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).