[(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine

C14H13ClN4S — CID 105328172

IUPAC[(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine
SMILESNNC(c1cnn(-c2ccccc2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN4S/c15-13-7-6-12(20-13)14(18-16)10-8-17-19(9-10)11-4-2-1-3-5-11/h1-9,14,18H,16H2
InChIKeyXXSZPFVHEMDGOI-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.14
Rot. Bonds4

About [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine

[(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105328172) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine
PubChem CID105328172
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name[(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine
SMILESNNC(c1cnn(-c2ccccc2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN4S/c15-13-7-6-12(20-13)14(18-16)10-8-17-19(9-10)11-4-2-1-3-5-11/h1-9,14,18H,16H2
InChIKeyXXSZPFVHEMDGOI-UHFFFAOYSA-N
XLogP3.14
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine (CID 105328172) is [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine is NNC(c1cnn(-c2ccccc2)c1)c1ccc(Cl)s1.
What is the InChIKey of [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is XXSZPFVHEMDGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c15-13-7-6-12(20-13)14(18-16)10-8-17-19(9-10)11-4-2-1-3-5-11/h1-9,14,18H,16H2.
What are the key properties of [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine?
[(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 304.81 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105328172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).