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

C14H20BrN3O — CID 19575125

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCn1nc(C)c(Br)c1C
InChIInChI=1S/C14H20BrN3O/c1-5-8-17(9-6-2)13(19)7-10-18-12(4)14(15)11(3)16-18/h5-6H,1-2,7-10H2,3-4H3
InChIKeyHTNQNCXTCOWUBC-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.85
Rot. Bonds7

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

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide (PubChem CID 19575125) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide
PubChem CID19575125
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCn1nc(C)c(Br)c1C
InChIInChI=1S/C14H20BrN3O/c1-5-8-17(9-6-2)13(19)7-10-18-12(4)14(15)11(3)16-18/h5-6H,1-2,7-10H2,3-4H3
InChIKeyHTNQNCXTCOWUBC-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate
CID 4753296
2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide
CID 110280092
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid
CID 62129898
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 15943592
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 4769764
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylpropanamide
CID 19561601
2-[prop-2-enyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 79256977
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 39891722
2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79263566
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-enylbenzamide
CID 35529506
4-bromo-3,5-dimethyl-1-(2-methylsulfanylethyl)pyrazole
CID 115773469
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 19559871

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide (CID 19575125) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CCn1nc(C)c(Br)c1C.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is HTNQNCXTCOWUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-5-8-17(9-6-2)13(19)7-10-18-12(4)14(15)11(3)16-18/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 326.24 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 19575125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).