[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine

C11H15BrN4S — CID 105222098

IUPAC[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccc(Br)s2)cn1
InChIInChI=1S/C11H15BrN4S/c1-2-5-16-7-8(6-14-16)11(15-13)9-3-4-10(12)17-9/h3-4,6-7,11,15H,2,5,13H2,1H3
InChIKeyBNPRMGSQSJOYDQ-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.67
Rot. Bonds5

About [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine

[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105222098) has the molecular formula C11H15BrN4S and a molecular weight of 315.24 g/mol. Its IUPAC name is [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
PubChem CID105222098
Molecular FormulaC11H15BrN4S
Molecular Weight315.24 g/mol
Exact Mass314.02
IUPAC Name[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccc(Br)s2)cn1
InChIInChI=1S/C11H15BrN4S/c1-2-5-16-7-8(6-14-16)11(15-13)9-3-4-10(12)17-9/h3-4,6-7,11,15H,2,5,13H2,1H3
InChIKeyBNPRMGSQSJOYDQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.67
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

[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
CID 105263459
[(1-ethylpyrazol-4-yl)-(5-ethylthiophen-2-yl)methyl]hydrazine
CID 105289750
[(4-bromo-1-methylpyrazol-5-yl)-(5-bromothiophen-2-yl)methyl]hydrazine
CID 105222214
[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105288436
[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105264613
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
[(4-bromothiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105222445
[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288494

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine (CID 105222098) is [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine is CCCn1cc(C(NN)c2ccc(Br)s2)cn1.
What is the InChIKey of [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is BNPRMGSQSJOYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4S/c1-2-5-16-7-8(6-14-16)11(15-13)9-3-4-10(12)17-9/h3-4,6-7,11,15H,2,5,13H2,1H3.
What are the key properties of [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 315.24 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105222098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).