[(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine

C14H13IN4S — CID 107332520

IUPAC[(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
SMILESNNC(c1csc(I)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H13IN4S/c15-13-8-10(9-20-13)14(18-16)12-6-7-17-19(12)11-4-2-1-3-5-11/h1-9,14,18H,16H2
InChIKeyZVQYVBDQZYTVQS-UHFFFAOYSA-N
MW396.26 g/mol
LogP3.09
Rot. Bonds4

About [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine

[(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine (PubChem CID 107332520) has the molecular formula C14H13IN4S and a molecular weight of 396.26 g/mol. Its IUPAC name is [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
PubChem CID107332520
Molecular FormulaC14H13IN4S
Molecular Weight396.26 g/mol
Exact Mass395.99
IUPAC Name[(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
SMILESNNC(c1csc(I)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H13IN4S/c15-13-8-10(9-20-13)14(18-16)12-6-7-17-19(12)11-4-2-1-3-5-11/h1-9,14,18H,16H2
InChIKeyZVQYVBDQZYTVQS-UHFFFAOYSA-N
XLogP3.09
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(4-methoxythiophen-2-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
CID 107332567
[(1-methylpyrazol-4-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
CID 107332407
N-[(5-iodothiophen-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043247
[(5-methylpyrazin-2-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
CID 107332508
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284942
[(3,5-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105301893
[2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butyl]hydrazine
CID 107332493
[(5-bromothiophen-3-yl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307297
[(2,3-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105309400
N-methyl-1-(2-methyl-4-pyridinyl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107332076
[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 106649932

Frequently Asked Questions

What is the IUPAC name of [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine (CID 107332520) is [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine is NNC(c1csc(I)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is ZVQYVBDQZYTVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN4S/c15-13-8-10(9-20-13)14(18-16)12-6-7-17-19(12)11-4-2-1-3-5-11/h1-9,14,18H,16H2.
What are the key properties of [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine?
[(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 396.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-iodothiophen-3-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 107332520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).