4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine

C11H13BrN4 — CID 114663323

IUPAC4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
SMILESCCn1ncc(Br)c1Cc1ccnc(N)c1
InChIInChI=1S/C11H13BrN4/c1-2-16-10(9(12)7-15-16)5-8-3-4-14-11(13)6-8/h3-4,6-7H,2,5H2,1H3,(H2,13,14)
InChIKeyIKJAQGWXMCACED-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.23
Rot. Bonds3

About 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine

4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine (PubChem CID 114663323) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
PubChem CID114663323
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
SMILESCCn1ncc(Br)c1Cc1ccnc(N)c1
InChIInChI=1S/C11H13BrN4/c1-2-16-10(9(12)7-15-16)5-8-3-4-14-11(13)6-8/h3-4,6-7H,2,5H2,1H3,(H2,13,14)
InChIKeyIKJAQGWXMCACED-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine
CID 114663333
4-bromo-1,5-diethylpyrazole
CID 66959053
ethane;4-ethylpyridin-2-amine
CID 144736585
2-(2-amino-4-pyridinyl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114556816
4-(2-chloroethyl)pyridin-2-amine
CID 91610191
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
2-[(2-amino-4-pyridinyl)methyl]-5-methylpyridazin-3-one
CID 106549024
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine
CID 79760806
4-[(dimethylamino)methyl]pyridin-2-amine
CID 45088278
N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662776

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine (CID 114663323) is 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine is CCn1ncc(Br)c1Cc1ccnc(N)c1.
What is the InChIKey of 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is IKJAQGWXMCACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-2-16-10(9(12)7-15-16)5-8-3-4-14-11(13)6-8/h3-4,6-7H,2,5H2,1H3,(H2,13,14).
What are the key properties of 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine?
4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114663323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).