(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine

C12H15BrN4 — CID 114877972

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cnccc1C
InChIInChI=1S/C12H15BrN4/c1-3-17-12(10(13)7-16-17)11(14)9-6-15-5-4-8(9)2/h4-7,11H,3,14H2,1-2H3
InChIKeyWGYUSBMBPAWANC-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.42
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine (PubChem CID 114877972) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
PubChem CID114877972
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1cnccc1C
InChIInChI=1S/C12H15BrN4/c1-3-17-12(10(13)7-16-17)11(14)9-6-15-5-4-8(9)2/h4-7,11H,3,14H2,1-2H3
InChIKeyWGYUSBMBPAWANC-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914
(4-bromo-1-ethylpyrazol-5-yl)-quinolin-5-ylmethanamine
CID 105182906
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methyl]hydrazine
CID 105336201
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877854

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine (CID 114877972) is (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine is CCn1ncc(Br)c1C(N)c1cnccc1C.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is WGYUSBMBPAWANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-3-17-12(10(13)7-16-17)11(14)9-6-15-5-4-8(9)2/h4-7,11H,3,14H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 295.18 g/mol, XLogP of 2.42, 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)-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 114877972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).