1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione

C14H21BrN4O2 — CID 79936252

IUPAC1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2c(Br)c(C)nn2CC)CC1=O
InChIInChI=1S/C14H21BrN4O2/c1-4-6-17-8-13(21)18(9-12(17)20)7-11-14(15)10(3)16-19(11)5-2/h4-9H2,1-3H3
InChIKeyAJHRYHHEXKCYJF-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.55
Rot. Bonds5

About 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione (PubChem CID 79936252) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione
PubChem CID79936252
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2c(Br)c(C)nn2CC)CC1=O
InChIInChI=1S/C14H21BrN4O2/c1-4-6-17-8-13(21)18(9-12(17)20)7-11-14(15)10(3)16-19(11)5-2/h4-9H2,1-3H3
InChIKeyAJHRYHHEXKCYJF-UHFFFAOYSA-N
XLogP1.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091223
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 114083665
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211634
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79886079
4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole
CID 114692746
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439578
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218474
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310041
1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116576526
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 114082448

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione (CID 79936252) is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2c(Br)c(C)nn2CC)CC1=O.
What is the InChIKey of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is AJHRYHHEXKCYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-4-6-17-8-13(21)18(9-12(17)20)7-11-14(15)10(3)16-19(11)5-2/h4-9H2,1-3H3.
What are the key properties of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione?
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione has a molecular weight of 357.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79936252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).