3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine

C13H16BrClN4 — CID 114836170

IUPAC3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
SMILESCc1cc(C)n(CCCNc2ncc(Cl)cc2Br)n1
InChIInChI=1S/C13H16BrClN4/c1-9-6-10(2)19(18-9)5-3-4-16-13-12(14)7-11(15)8-17-13/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyICXMFADRCKJASD-UHFFFAOYSA-N
MW343.66 g/mol
LogP3.81
Rot. Bonds5

About 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine

3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine (PubChem CID 114836170) has the molecular formula C13H16BrClN4 and a molecular weight of 343.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
PubChem CID114836170
Molecular FormulaC13H16BrClN4
Molecular Weight343.66 g/mol
Exact Mass342.02
IUPAC Name3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
SMILESCc1cc(C)n(CCCNc2ncc(Cl)cc2Br)n1
InChIInChI=1S/C13H16BrClN4/c1-9-6-10(2)19(18-9)5-3-4-16-13-12(14)7-11(15)8-17-13/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyICXMFADRCKJASD-UHFFFAOYSA-N
XLogP3.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-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

3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
3,5-dichloro-6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-N-methylpyridine-2,6-diamine
CID 102760138
3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
CID 122404054
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
N-[(3-bromo-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115572090
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
CID 114536234
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
N-[(6-chloro-3-pyridinyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78840554

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine (CID 114836170) is 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine is Cc1cc(C)n(CCCNc2ncc(Cl)cc2Br)n1.
What is the InChIKey of 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine?
The InChIKey is ICXMFADRCKJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4/c1-9-6-10(2)19(18-9)5-3-4-16-13-12(14)7-11(15)8-17-13/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine?
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine has a molecular weight of 343.66 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 114836170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).