[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine

C12H15ClN4 — CID 107103871

IUPAC[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCc1c(Cl)cccc1C(NN)c1ccn(C)n1
InChIInChI=1S/C12H15ClN4/c1-8-9(4-3-5-10(8)13)12(15-14)11-6-7-17(2)16-11/h3-7,12,15H,14H2,1-2H3
InChIKeyUMHOJOMUKIHMOP-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.93
Rot. Bonds3

About [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine

[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine (PubChem CID 107103871) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
PubChem CID107103871
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCc1c(Cl)cccc1C(NN)c1ccn(C)n1
InChIInChI=1S/C12H15ClN4/c1-8-9(4-3-5-10(8)13)12(15-14)11-6-7-17(2)16-11/h3-7,12,15H,14H2,1-2H3
InChIKeyUMHOJOMUKIHMOP-UHFFFAOYSA-N
XLogP1.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(2-chloro-3-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140793
[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141046
(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 107103544
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140976
[(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228669
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322
[(2,4-dimethylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228647
[(3-chloro-2-methylphenyl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 107103660
[(2,4-difluoro-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141162
[(3-chloro-2-methylphenyl)-(furan-2-yl)methyl]hydrazine
CID 107103681
4-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]-1-methylpyrazol-5-amine
CID 103140235
[(3-chloro-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107103824

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine (CID 107103871) is [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine is Cc1c(Cl)cccc1C(NN)c1ccn(C)n1.
What is the InChIKey of [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is UMHOJOMUKIHMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-9(4-3-5-10(8)13)12(15-14)11-6-7-17(2)16-11/h3-7,12,15H,14H2,1-2H3.
What are the key properties of [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 250.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 107103871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).