[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

C12H18N4S — CID 105322374

IUPAC[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N4S/c1-7-5-6-17-12(7)11(14-13)10-8(2)15-16(4)9(10)3/h5-6,11,14H,13H2,1-4H3
InChIKeyDCJCNHMVRYKBOX-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.96
Rot. Bonds3

About [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105322374) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105322374
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N4S/c1-7-5-6-17-12(7)11(14-13)10-8(2)15-16(4)9(10)3/h5-6,11,14H,13H2,1-4H3
InChIKeyDCJCNHMVRYKBOX-UHFFFAOYSA-N
XLogP1.96
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.96
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

[1-(3-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105322494
(1R)-N-[(1R)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635121
(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635119
[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
[(5-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105318696
[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105286716
[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105300373
[(2-methoxy-3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 103436361
[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105302308
[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304935
[pyridin-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105287039
[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 106884497

Frequently Asked Questions

What is the IUPAC name of [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (CID 105322374) is [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is Cc1ccsc1C(NN)c1c(C)nn(C)c1C.
What is the InChIKey of [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is DCJCNHMVRYKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-7-5-6-17-12(7)11(14-13)10-8(2)15-16(4)9(10)3/h5-6,11,14H,13H2,1-4H3.
What are the key properties of [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 250.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105322374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).