3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine

C13H17BrN4 — CID 65349761

IUPAC3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C13H17BrN4/c1-2-15-7-3-4-11-8-17-18(10-11)13-6-5-12(14)9-16-13/h5-6,8-10,15H,2-4,7H2,1H3
InChIKeyHNGUQQPGNWUGEV-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.57
Rot. Bonds6

About 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine

3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 65349761) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID65349761
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C13H17BrN4/c1-2-15-7-3-4-11-8-17-18(10-11)13-6-5-12(14)9-16-13/h5-6,8-10,15H,2-4,7H2,1H3
InChIKeyHNGUQQPGNWUGEV-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine 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

N-ethyl-3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propan-1-amine
CID 55111123
3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 63276731
3-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225163
N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine
CID 82880308
3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718450
N-propyl-3-(1-pyrazin-2-ylpyrazol-4-yl)propan-1-amine
CID 81041509
3-[1-(3-bromophenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62719469
2-methyl-N-[3-(1-pyridin-2-ylpyrazol-4-yl)propyl]propan-1-amine
CID 55111261
5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
CID 164655777
N-ethyl-3-(1-pentan-3-ylpyrazol-4-yl)propan-1-amine
CID 62719656
N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55059708
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
CID 60958392

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 65349761) is 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNCCCc1cnn(-c2ccc(Br)cn2)c1.
What is the InChIKey of 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is HNGUQQPGNWUGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-2-15-7-3-4-11-8-17-18(10-11)13-6-5-12(14)9-16-13/h5-6,8-10,15H,2-4,7H2,1H3.
What are the key properties of 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 65349761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).