2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide

C16H23BrN4O2 — CID 110280092

IUPAC2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C16H23BrN4O2/c1-6-8-20(9-7-2)16(23)12(4)18-14(22)10-21-13(5)15(17)11(3)19-21/h6-7,12H,1-2,8-10H2,3-5H3,(H,18,22)
InChIKeyMLRHCTUAGJDBKM-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.97
Rot. Bonds8

About 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide

2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide (PubChem CID 110280092) has the molecular formula C16H23BrN4O2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide
PubChem CID110280092
Molecular FormulaC16H23BrN4O2
Molecular Weight383.29 g/mol
Exact Mass382.10
IUPAC Name2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C16H23BrN4O2/c1-6-8-20(9-7-2)16(23)12(4)18-14(22)10-21-13(5)15(17)11(3)19-21/h6-7,12H,1-2,8-10H2,3-5H3,(H,18,22)
InChIKeyMLRHCTUAGJDBKM-UHFFFAOYSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1716418
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-butylacetamide
CID 1899616
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(cyanomethyl)acetamide
CID 4356591
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 51390307
N-[(2S)-butan-2-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 52142042
N~1~-allyl-N~3~-isopropyl-N~3~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-beta-alaninamide
CID 91841529
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 132219809
N-((1r,4r)-4-aminocyclohexyl)-2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 132219868
3-amino-N-((1r,4r)-4-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanamido)cyclohexyl)propanamide
CID 132227771
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N,N-bis(2-methylpropyl)propanamide
CID 4768516
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylpropanamide
CID 4769884
2-[4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-cyclopropylpropanamide
CID 4769920

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide (CID 110280092) is 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)C(C)NC(=O)Cn1nc(C)c(Br)c1C.
What is the InChIKey of 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is MLRHCTUAGJDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O2/c1-6-8-20(9-7-2)16(23)12(4)18-14(22)10-21-13(5)15(17)11(3)19-21/h6-7,12H,1-2,8-10H2,3-5H3,(H,18,22).
What are the key properties of 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide?
2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 383.29 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 110280092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).