[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine

C13H16ClIN4 — CID 105336809

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1ccccc1I
InChIInChI=1S/C13H16ClIN4/c1-8(2)19-13(10(14)7-17-19)12(18-16)9-5-3-4-6-11(9)15/h3-8,12,18H,16H2,1-2H3
InChIKeyVYOLMJPDGWFALS-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.27
Rot. Bonds4

About [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine (PubChem CID 105336809) has the molecular formula C13H16ClIN4 and a molecular weight of 390.66 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
PubChem CID105336809
Molecular FormulaC13H16ClIN4
Molecular Weight390.66 g/mol
Exact Mass390.01
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1ccccc1I
InChIInChI=1S/C13H16ClIN4/c1-8(2)19-13(10(14)7-17-19)12(18-16)9-5-3-4-6-11(9)15/h3-8,12,18H,16H2,1-2H3
InChIKeyVYOLMJPDGWFALS-UHFFFAOYSA-N
XLogP3.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.27
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

[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336821
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105336770
[(2-iodophenyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105304253
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207979
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-ethylphenyl)methyl]ethanamine
CID 105041822
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105336778
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105041760
[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105222643
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105336779

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine (CID 105336809) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)c1ccccc1I.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine?
The InChIKey is VYOLMJPDGWFALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN4/c1-8(2)19-13(10(14)7-17-19)12(18-16)9-5-3-4-6-11(9)15/h3-8,12,18H,16H2,1-2H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine has a molecular weight of 390.66 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine is sourced from PubChem (CID 105336809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).