(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine

C15H18BrN3O — CID 114655766

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)C1COc2ccccc2C1
InChIInChI=1S/C15H18BrN3O/c1-2-19-15(12(16)8-18-19)14(17)11-7-10-5-3-4-6-13(10)20-9-11/h3-6,8,11,14H,2,7,9,17H2,1H3
InChIKeyWRUUZVCYYQYSMX-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.92
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (PubChem CID 114655766) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
PubChem CID114655766
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)C1COc2ccccc2C1
InChIInChI=1S/C15H18BrN3O/c1-2-19-15(12(16)8-18-19)14(17)11-7-10-5-3-4-6-13(10)20-9-11/h3-6,8,11,14H,2,7,9,17H2,1H3
InChIKeyWRUUZVCYYQYSMX-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105234017
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 114644108
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
CID 114655875
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 114660003
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65412050
(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine
CID 105040053
2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 104802615
(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 114655860
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105182833
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (CID 114655766) is (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine is CCn1ncc(Br)c1C(N)C1COc2ccccc2C1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The InChIKey is WRUUZVCYYQYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-19-15(12(16)8-18-19)14(17)11-7-10-5-3-4-6-13(10)20-9-11/h3-6,8,11,14H,2,7,9,17H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine has a molecular weight of 336.23 g/mol, XLogP of 2.92, 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)-(3,4-dihydro-2H-chromen-3-yl)methanamine is sourced from PubChem (CID 114655766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).