[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C14H24ClN5O — CID 105245184

IUPAC[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1CN2CCCC2CO1
InChIInChI=1S/C14H24ClN5O/c1-9(2)20-14(11(15)6-17-20)13(18-16)12-7-19-5-3-4-10(19)8-21-12/h6,9-10,12-13,18H,3-5,7-8,16H2,1-2H3
InChIKeyLALLKDJNJVLHCR-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.49
Rot. Bonds4

About [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105245184) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105245184
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1CN2CCCC2CO1
InChIInChI=1S/C14H24ClN5O/c1-9(2)20-14(11(15)6-17-20)13(18-16)12-7-19-5-3-4-10(19)8-21-12/h6,9-10,12-13,18H,3-5,7-8,16H2,1-2H3
InChIKeyLALLKDJNJVLHCR-UHFFFAOYSA-N
XLogP1.49
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine with MolForge

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Related Compounds

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105245060
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105336884
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 114657291
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
CID 105244973
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114641341
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105245086
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105245175
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
(1R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)ethanamine
CID 104932115
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530

Frequently Asked Questions

What is the IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105245184) is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)C1CN2CCCC2CO1.
What is the InChIKey of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is LALLKDJNJVLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-9(2)20-14(11(15)6-17-20)13(18-16)12-7-19-5-3-4-10(19)8-21-12/h6,9-10,12-13,18H,3-5,7-8,16H2,1-2H3.
What are the key properties of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 313.83 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105245184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).