[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine

C9H15IN4 — CID 131107647

IUPAC[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine
SMILESCn1ncc(C(NN)C2CCC2)c1I
InChIInChI=1S/C9H15IN4/c1-14-9(10)7(5-12-14)8(13-11)6-3-2-4-6/h5-6,8,13H,2-4,11H2,1H3
InChIKeyDGUGFANKXKEJBK-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.33
Rot. Bonds3

About [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine

[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine (PubChem CID 131107647) has the molecular formula C9H15IN4 and a molecular weight of 306.15 g/mol. Its IUPAC name is [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine
PubChem CID131107647
Molecular FormulaC9H15IN4
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine
SMILESCn1ncc(C(NN)C2CCC2)c1I
InChIInChI=1S/C9H15IN4/c1-14-9(10)7(5-12-14)8(13-11)6-3-2-4-6/h5-6,8,13H,2-4,11H2,1H3
InChIKeyDGUGFANKXKEJBK-UHFFFAOYSA-N
XLogP1.33
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 131031515
cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol
CID 130637937
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
[(1,5-dimethylpyrazol-4-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306569
[cyclopentyl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105204250
4-[(3,5-dimethylcyclohexyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230921
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
CID 131110893
4-[cyclopentyl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231072
[cyclobutyl-(2,6-dimethyl-3-pyridinyl)methyl]hydrazine
CID 105340078
[cyclobutyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105340101
4-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]-1-methylpyrazol-5-amine
CID 105230964
[cyclobutyl-(3-ethyl-4-pyridinyl)methyl]hydrazine
CID 105262280

Frequently Asked Questions

What is the IUPAC name of [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine (CID 131107647) is [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine is Cn1ncc(C(NN)C2CCC2)c1I.
What is the InChIKey of [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is DGUGFANKXKEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4/c1-14-9(10)7(5-12-14)8(13-11)6-3-2-4-6/h5-6,8,13H,2-4,11H2,1H3.
What are the key properties of [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine?
[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 306.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 131107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).