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

C12H17ClN4S — CID 105336770

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2c(Cl)cnn2C(C)C)s1
InChIInChI=1S/C12H17ClN4S/c1-7(2)17-12(9(13)6-15-17)11(16-14)10-5-4-8(3)18-10/h4-7,11,16H,14H2,1-3H3
InChIKeyIUEQMNMEBBIKFF-UHFFFAOYSA-N
MW284.82 g/mol
LogP3.04
Rot. Bonds4

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

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 105336770) has the molecular formula C12H17ClN4S and a molecular weight of 284.82 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
PubChem CID105336770
Molecular FormulaC12H17ClN4S
Molecular Weight284.82 g/mol
Exact Mass284.09
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2c(Cl)cnn2C(C)C)s1
InChIInChI=1S/C12H17ClN4S/c1-7(2)17-12(9(13)6-15-17)11(16-14)10-5-4-8(3)18-10/h4-7,11,16H,14H2,1-3H3
InChIKeyIUEQMNMEBBIKFF-UHFFFAOYSA-N
XLogP3.04
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.82
LogP ≤ 53.04
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-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105222643
[(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
[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
[(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)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
[(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-methoxy-4-methylphenyl)methyl]hydrazine
CID 105336741
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylthiophen-2-yl)methanamine
CID 105054688
[(2-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105307385

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine (CID 105336770) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine is Cc1ccc(C(NN)c2c(Cl)cnn2C(C)C)s1.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is IUEQMNMEBBIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4S/c1-7(2)17-12(9(13)6-15-17)11(16-14)10-5-4-8(3)18-10/h4-7,11,16H,14H2,1-3H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 284.82 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105336770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).