3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide

C14H23BrN4O — CID 79394945

IUPAC3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide
SMILESCCc1nn(CC)c(CNCCC(=O)NC2CC2)c1Br
InChIInChI=1S/C14H23BrN4O/c1-3-11-14(15)12(19(4-2)18-11)9-16-8-7-13(20)17-10-5-6-10/h10,16H,3-9H2,1-2H3,(H,17,20)
InChIKeyANYUZHUTWLTZCY-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.99
Rot. Bonds8

About 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide

3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide (PubChem CID 79394945) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide
PubChem CID79394945
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide
SMILESCCc1nn(CC)c(CNCCC(=O)NC2CC2)c1Br
InChIInChI=1S/C14H23BrN4O/c1-3-11-14(15)12(19(4-2)18-11)9-16-8-7-13(20)17-10-5-6-10/h10,16H,3-9H2,1-2H3,(H,17,20)
InChIKeyANYUZHUTWLTZCY-UHFFFAOYSA-N
XLogP1.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
CID 79377561
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412567
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 80585526
N-[5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79607034
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600911
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 115779399
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186937
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79547136
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide (CID 79394945) is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide is CCc1nn(CC)c(CNCCC(=O)NC2CC2)c1Br.
What is the InChIKey of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide?
The InChIKey is ANYUZHUTWLTZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-3-11-14(15)12(19(4-2)18-11)9-16-8-7-13(20)17-10-5-6-10/h10,16H,3-9H2,1-2H3,(H,17,20).
What are the key properties of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide?
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79394945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).