[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine

C15H27BrN4O — CID 105276226

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2c(Br)cnn2C(C)C)CCCCC1
InChIInChI=1S/C15H27BrN4O/c1-4-21-15(8-6-5-7-9-15)14(19-17)13-12(16)10-18-20(13)11(2)3/h10-11,14,19H,4-9,17H2,1-3H3
InChIKeyUGUIKRPWTZKCMK-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.47
Rot. Bonds6

About [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine (PubChem CID 105276226) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
PubChem CID105276226
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2c(Br)cnn2C(C)C)CCCCC1
InChIInChI=1S/C15H27BrN4O/c1-4-21-15(8-6-5-7-9-15)14(19-17)13-12(16)10-18-20(13)11(2)3/h10-11,14,19H,4-9,17H2,1-3H3
InChIKeyUGUIKRPWTZKCMK-UHFFFAOYSA-N
XLogP3.47
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.47
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)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 114645787
[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 106466257
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
CID 114661786
[(1-ethoxycycloheptyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105278414
(1-ethoxycyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114661832
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830600
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
[(1-ethoxycyclopentyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105275736
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105042004
[(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278518

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine (CID 105276226) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine is CCOC1(C(NN)c2c(Br)cnn2C(C)C)CCCCC1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine?
The InChIKey is UGUIKRPWTZKCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-4-21-15(8-6-5-7-9-15)14(19-17)13-12(16)10-18-20(13)11(2)3/h10-11,14,19H,4-9,17H2,1-3H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine has a molecular weight of 359.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105276226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).