2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide

C12H21BrN4O — CID 103108596

IUPAC2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1c(Br)c(C)nn1C
InChIInChI=1S/C12H21BrN4O/c1-6-16(4)12(18)9(3)14-7-10-11(13)8(2)15-17(10)5/h9,14H,6-7H2,1-5H3
InChIKeyJVPQFNSYUWTSTR-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.45
Rot. Bonds5

About 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide

2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103108596) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103108596
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1c(Br)c(C)nn1C
InChIInChI=1S/C12H21BrN4O/c1-6-16(4)12(18)9(3)14-7-10-11(13)8(2)15-17(10)5/h9,14H,6-7H2,1-5H3
InChIKeyJVPQFNSYUWTSTR-UHFFFAOYSA-N
XLogP1.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107455
(2S)-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79249368
4-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]butan-2-amine
CID 83187571
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 107236349
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propanamide
CID 103107651
(1S)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
CID 81359014
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108096
N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
CID 103108669
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
(1R)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81399912
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108734

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide (CID 103108596) is 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1c(Br)c(C)nn1C.
What is the InChIKey of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is JVPQFNSYUWTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-6-16(4)12(18)9(3)14-7-10-11(13)8(2)15-17(10)5/h9,14H,6-7H2,1-5H3.
What are the key properties of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 317.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).