2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine

C13H17BrN4 — CID 114878006

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1c(Br)c(C)nn1C
InChIInChI=1S/C13H17BrN4/c1-8-4-5-16-7-10(8)11(15)6-12-13(14)9(2)17-18(12)3/h4-5,7,11H,6,15H2,1-3H3
InChIKeyPVXJMVKYYRJKIL-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.44
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 114878006) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID114878006
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1c(Br)c(C)nn1C
InChIInChI=1S/C13H17BrN4/c1-8-4-5-16-7-10(8)11(15)6-12-13(14)9(2)17-18(12)3/h4-5,7,11H,6,15H2,1-3H3
InChIKeyPVXJMVKYYRJKIL-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877854
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877832
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105000382
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
CID 107953264
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160896
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105000529
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105160984
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 105000224
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 105160942
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 114878006) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)Cc1c(Br)c(C)nn1C.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is PVXJMVKYYRJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-8-4-5-16-7-10(8)11(15)6-12-13(14)9(2)17-18(12)3/h4-5,7,11H,6,15H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 309.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 114878006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).