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

C9H13ClN6S — CID 105336778

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1csnn1
InChIInChI=1S/C9H13ClN6S/c1-5(2)16-9(6(10)3-12-16)8(13-11)7-4-17-15-14-7/h3-5,8,13H,11H2,1-2H3
InChIKeyAWXYHMBXTGOBJM-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.52
Rot. Bonds4

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

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine (PubChem CID 105336778) has the molecular formula C9H13ClN6S and a molecular weight of 272.76 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine
PubChem CID105336778
Molecular FormulaC9H13ClN6S
Molecular Weight272.76 g/mol
Exact Mass272.06
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1csnn1
InChIInChI=1S/C9H13ClN6S/c1-5(2)16-9(6(10)3-12-16)8(13-11)7-4-17-15-14-7/h3-5,8,13H,11H2,1-2H3
InChIKeyAWXYHMBXTGOBJM-UHFFFAOYSA-N
XLogP1.52
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105222643
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105336770
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207979
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105336779
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
CID 105336809
[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336821
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245533
[(1-ethylpyrazol-4-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105289774
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanamine
CID 105189953
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine (CID 105336778) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)c1csnn1.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The InChIKey is AWXYHMBXTGOBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN6S/c1-5(2)16-9(6(10)3-12-16)8(13-11)7-4-17-15-14-7/h3-5,8,13H,11H2,1-2H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine has a molecular weight of 272.76 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105336778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).