[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine

C15H19BrN4O — CID 105234017

IUPAC[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)C1COc2ccccc2C1
InChIInChI=1S/C15H19BrN4O/c1-2-20-15(12(16)8-18-20)14(19-17)11-7-10-5-3-4-6-13(10)21-9-11/h3-6,8,11,14,19H,2,7,9,17H2,1H3
InChIKeyUNGMUJGREICHOW-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.42
Rot. Bonds4

About [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine

[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine (PubChem CID 105234017) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
PubChem CID105234017
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)C1COc2ccccc2C1
InChIInChI=1S/C15H19BrN4O/c1-2-20-15(12(16)8-18-20)14(19-17)11-7-10-5-3-4-6-13(10)21-9-11/h3-6,8,11,14,19H,2,7,9,17H2,1H3
InChIKeyUNGMUJGREICHOW-UHFFFAOYSA-N
XLogP2.42
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
[(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]hydrazine
CID 105262798
[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105234135
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 114644108
[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105336237
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105182833
[3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105233997
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781
[3,4-dihydro-2H-chromen-3-yl(thiophen-3-yl)methyl]hydrazine
CID 105233912
[3,4-dihydro-2H-chromen-3-yl(thiophen-2-yl)methyl]hydrazine
CID 105233943
[(2,6-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233931

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine (CID 105234017) is [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine is CCn1ncc(Br)c1C(NN)C1COc2ccccc2C1.
What is the InChIKey of [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine?
The InChIKey is UNGMUJGREICHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-2-20-15(12(16)8-18-20)14(19-17)11-7-10-5-3-4-6-13(10)21-9-11/h3-6,8,11,14,19H,2,7,9,17H2,1H3.
What are the key properties of [(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine?
[(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine has a molecular weight of 351.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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)methyl]hydrazine is sourced from PubChem (CID 105234017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).