3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine

C11H14BrN5 — CID 114143843

IUPAC3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESCn1ccc(CCNc2ncc(N)cc2Br)n1
InChIInChI=1S/C11H14BrN5/c1-17-5-3-9(16-17)2-4-14-11-10(12)6-8(13)7-15-11/h3,5-7H,2,4,13H2,1H3,(H,14,15)
InChIKeyNQEWXJVTFNNNRR-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.81
Rot. Bonds4

About 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine

3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine (PubChem CID 114143843) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
PubChem CID114143843
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
SMILESCn1ccc(CCNc2ncc(N)cc2Br)n1
InChIInChI=1S/C11H14BrN5/c1-17-5-3-9(16-17)2-4-14-11-10(12)6-8(13)7-15-11/h3,5-7H,2,4,13H2,1H3,(H,14,15)
InChIKeyNQEWXJVTFNNNRR-UHFFFAOYSA-N
XLogP1.81
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
4-amino-2,6-dibromo-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103937
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 79021090
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891886
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
CID 79531632
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine (CID 114143843) is 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine is Cn1ccc(CCNc2ncc(N)cc2Br)n1.
What is the InChIKey of 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is NQEWXJVTFNNNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-17-5-3-9(16-17)2-4-14-11-10(12)6-8(13)7-15-11/h3,5-7H,2,4,13H2,1H3,(H,14,15).
What are the key properties of 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine?
3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 296.17 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 114143843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).