[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine

C9H9Br2ClN4S — CID 105338959

IUPAC[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2ClN4S/c1-16-8(5(12)3-14-16)7(15-13)6-2-4(10)9(11)17-6/h2-3,7,15H,13H2,1H3
InChIKeyZCCKDMVCVIIBGB-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.21
Rot. Bonds3

About [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine

[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine (PubChem CID 105338959) has the molecular formula C9H9Br2ClN4S and a molecular weight of 400.53 g/mol. Its IUPAC name is [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
PubChem CID105338959
Molecular FormulaC9H9Br2ClN4S
Molecular Weight400.53 g/mol
Exact Mass397.86
IUPAC Name[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2ClN4S/c1-16-8(5(12)3-14-16)7(15-13)6-2-4(10)9(11)17-6/h2-3,7,15H,13H2,1H3
InChIKeyZCCKDMVCVIIBGB-UHFFFAOYSA-N
XLogP3.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.21
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-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105342423
[(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970626
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]hydrazine
CID 105268450
[(4-chloro-1-methylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338868
[(2-bromofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106860241
[(4-bromo-1-methylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105342289
[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196547
[(4-chloro-1-methylpyrazol-5-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203738
[(4-bromo-1-methylpyrazol-5-yl)-(5-bromothiophen-2-yl)methyl]hydrazine
CID 105222214
[(4-chloro-1-methylpyrazol-5-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105338778
[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 107562588
[(5-chlorofuran-2-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106694761

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine (CID 105338959) is [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine is Cn1ncc(Cl)c1C(NN)c1cc(Br)c(Br)s1.
What is the InChIKey of [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The InChIKey is ZCCKDMVCVIIBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2ClN4S/c1-16-8(5(12)3-14-16)7(15-13)6-2-4(10)9(11)17-6/h2-3,7,15H,13H2,1H3.
What are the key properties of [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine has a molecular weight of 400.53 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105338959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).