[(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine

C12H17ClN4S — CID 103408427

IUPAC[(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2scc(C)c2Cl)cn1
InChIInChI=1S/C12H17ClN4S/c1-3-4-17-6-9(5-15-17)11(16-14)12-10(13)8(2)7-18-12/h5-7,11,16H,3-4,14H2,1-2H3
InChIKeyYOOJCQHVKWVSAW-UHFFFAOYSA-N
MW284.82 g/mol
LogP2.87
Rot. Bonds5

About [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine

[(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine (PubChem CID 103408427) has the molecular formula C12H17ClN4S and a molecular weight of 284.82 g/mol. Its IUPAC name is [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
PubChem CID103408427
Molecular FormulaC12H17ClN4S
Molecular Weight284.82 g/mol
Exact Mass284.09
IUPAC Name[(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2scc(C)c2Cl)cn1
InChIInChI=1S/C12H17ClN4S/c1-3-4-17-6-9(5-15-17)11(16-14)12-10(13)8(2)7-18-12/h5-7,11,16H,3-4,14H2,1-2H3
InChIKeyYOOJCQHVKWVSAW-UHFFFAOYSA-N
XLogP2.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.82
LogP ≤ 52.87
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-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103408784
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105222098
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105264613
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288605

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine (CID 103408427) is [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine is CCCn1cc(C(NN)c2scc(C)c2Cl)cn1.
What is the InChIKey of [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is YOOJCQHVKWVSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4S/c1-3-4-17-6-9(5-15-17)11(16-14)12-10(13)8(2)7-18-12/h5-7,11,16H,3-4,14H2,1-2H3.
What are the key properties of [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
[(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 284.82 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 103408427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).