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

C11H14BrClN4S — CID 105222643

IUPAC[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1cc(Br)cs1
InChIInChI=1S/C11H14BrClN4S/c1-6(2)17-11(8(13)4-15-17)10(16-14)9-3-7(12)5-18-9/h3-6,10,16H,14H2,1-2H3
InChIKeyOGCOPSNZVBOGNH-UHFFFAOYSA-N
MW349.69 g/mol
LogP3.49
Rot. Bonds4

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

[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105222643) has the molecular formula C11H14BrClN4S and a molecular weight of 349.69 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105222643
Molecular FormulaC11H14BrClN4S
Molecular Weight349.69 g/mol
Exact Mass347.98
IUPAC Name[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1cc(Br)cs1
InChIInChI=1S/C11H14BrClN4S/c1-6(2)17-11(8(13)4-15-17)10(16-14)9-3-7(12)5-18-9/h3-6,10,16H,14H2,1-2H3
InChIKeyOGCOPSNZVBOGNH-UHFFFAOYSA-N
XLogP3.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.69
LogP ≤ 53.49
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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Related Compounds

N-[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 114652806
[(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
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105336778
[(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
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
[(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-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
CID 105336809
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337035

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105222643) is [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)c1cc(Br)cs1.
What is the InChIKey of [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is OGCOPSNZVBOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4S/c1-6(2)17-11(8(13)4-15-17)10(16-14)9-3-7(12)5-18-9/h3-6,10,16H,14H2,1-2H3.
What are the key properties of [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 349.69 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105222643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).