[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine

C12H21BrN4O — CID 105336963

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
SMILESCC1OCCC1C(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H21BrN4O/c1-7(2)17-12(10(13)6-15-17)11(16-14)9-4-5-18-8(9)3/h6-9,11,16H,4-5,14H2,1-3H3
InChIKeyDMOPMLBCFVVRLI-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.16
Rot. Bonds4

About [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine (PubChem CID 105336963) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
PubChem CID105336963
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
SMILESCC1OCCC1C(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H21BrN4O/c1-7(2)17-12(10(13)6-15-17)11(16-14)9-4-5-18-8(9)3/h6-9,11,16H,4-5,14H2,1-3H3
InChIKeyDMOPMLBCFVVRLI-UHFFFAOYSA-N
XLogP2.16
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.16
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-propan-2-ylpyrazol-5-yl)-(2-ethyloxolan-3-yl)methyl]hydrazine
CID 114104870
2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336500
[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336967
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255309
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanamine
CID 105043083
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methanone
CID 115805405
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
[(2-methyloxolan-3-yl)-(1,3-thiazol-5-yl)methyl]hydrazine
CID 164650957
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655928
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114649226

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine (CID 105336963) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine is CC1OCCC1C(NN)c1c(Br)cnn1C(C)C.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine?
The InChIKey is DMOPMLBCFVVRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-7(2)17-12(10(13)6-15-17)11(16-14)9-4-5-18-8(9)3/h6-9,11,16H,4-5,14H2,1-3H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine has a molecular weight of 317.23 g/mol, XLogP of 2.16, 4 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)-(2-methyloxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105336963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).