5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine

C12H14BrClN4 — CID 114050342

IUPAC5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine
SMILESCCCn1nccc1CNc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClN4/c1-2-5-18-10(3-4-17-18)8-15-9-6-11(13)12(14)16-7-9/h3-4,6-7,15H,2,5,8H2,1H3
InChIKeyHCDOXWPFWOXUKV-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.72
Rot. Bonds5

About 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine

5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine (PubChem CID 114050342) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine
PubChem CID114050342
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine
SMILESCCCn1nccc1CNc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClN4/c1-2-5-18-10(3-4-17-18)8-15-9-6-11(13)12(14)16-7-9/h3-4,6-7,15H,2,5,8H2,1H3
InChIKeyHCDOXWPFWOXUKV-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
CID 103930537
4-ethoxy-3-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114556079
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 114555266
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
CID 114555413

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine (CID 114050342) is 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine is CCCn1nccc1CNc1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine?
The InChIKey is HCDOXWPFWOXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-2-5-18-10(3-4-17-18)8-15-9-6-11(13)12(14)16-7-9/h3-4,6-7,15H,2,5,8H2,1H3.
What are the key properties of 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine?
5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine has a molecular weight of 329.63 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 114050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).