(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine

C13H17BrN4 — CID 105182910

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1ccc(C)nc1C
InChIInChI=1S/C13H17BrN4/c1-4-18-13(11(14)7-16-18)12(15)10-6-5-8(2)17-9(10)3/h5-7,12H,4,15H2,1-3H3
InChIKeyPYGTYHHTCVFEKX-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.73
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine (PubChem CID 105182910) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
PubChem CID105182910
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1ccc(C)nc1C
InChIInChI=1S/C13H17BrN4/c1-4-18-13(11(14)7-16-18)12(15)10-6-5-8(2)17-9(10)3/h5-7,12H,4,15H2,1-3H3
InChIKeyPYGTYHHTCVFEKX-UHFFFAOYSA-N
XLogP2.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine 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

(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105183156
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105182878
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
[(2,6-dimethyl-3-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339360
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine (CID 105182910) is (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine is CCn1ncc(Br)c1C(N)c1ccc(C)nc1C.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
The InChIKey is PYGTYHHTCVFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-4-18-13(11(14)7-16-18)12(15)10-6-5-8(2)17-9(10)3/h5-7,12H,4,15H2,1-3H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine has a molecular weight of 309.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).