2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine

C13H18N4 — CID 83005209

IUPAC2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H18N4/c1-16(2)14-8-13-9-15-17(11-13)10-12-6-4-3-5-7-12/h3-7,9,11,14H,8,10H2,1-2H3
InChIKeyRUUBCNLHPJHMGN-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.50
Rot. Bonds5

About 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine

2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine (PubChem CID 83005209) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
PubChem CID83005209
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H18N4/c1-16(2)14-8-13-9-15-17(11-13)10-12-6-4-3-5-7-12/h3-7,9,11,14H,8,10H2,1-2H3
InChIKeyRUUBCNLHPJHMGN-UHFFFAOYSA-N
XLogP1.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353122
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol
CID 111106392
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
N-[(1-benzylpyrazol-4-yl)methyl]-4-iodoaniline
CID 43503117
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415339

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine (CID 83005209) is 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine is CN(C)NCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine?
The InChIKey is RUUBCNLHPJHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16(2)14-8-13-9-15-17(11-13)10-12-6-4-3-5-7-12/h3-7,9,11,14H,8,10H2,1-2H3.
What are the key properties of 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine?
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine has a molecular weight of 230.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 83005209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).