(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C15H20BrN3O2 — CID 39891789

IUPAC(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C15H20BrN3O2/c1-9(8-19-12(4)14(16)11(3)18-19)15(20)17-7-13-6-5-10(2)21-13/h5-6,9H,7-8H2,1-4H3,(H,17,20)/t9-/m1/s1
InChIKeyIXLXVBXBXLNXNH-SECBINFHSA-N
MW354.25 g/mol
LogP3.12
Rot. Bonds5

About (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 39891789) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID39891789
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C15H20BrN3O2/c1-9(8-19-12(4)14(16)11(3)18-19)15(20)17-7-13-6-5-10(2)21-13/h5-6,9H,7-8H2,1-4H3,(H,17,20)/t9-/m1/s1
InChIKeyIXLXVBXBXLNXNH-SECBINFHSA-N
XLogP3.12
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 39854745
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 19564273
(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
CID 39854755
(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 39734496
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
4-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19564419
4-bromo-3,5-dimethyl-1-[(5-methylfuran-2-yl)methyl]pyrazole
CID 62129091
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115189094
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19564213
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methylpropanamide
CID 19564301
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 4865310
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methylphenyl)-2-methylpropanamide
CID 19564210

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 39891789) is (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)o1.
What is the InChIKey of (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is IXLXVBXBXLNXNH-SECBINFHSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-9(8-19-12(4)14(16)11(3)18-19)15(20)17-7-13-6-5-10(2)21-13/h5-6,9H,7-8H2,1-4H3,(H,17,20)/t9-/m1/s1.
What are the key properties of (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 354.25 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 39891789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).