[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

C17H26N4 — CID 105300373

IUPAC[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N4/c1-11-15(12(2)21(6)20-11)16(19-18)13-7-9-14(10-8-13)17(3,4)5/h7-10,16,19H,18H2,1-6H3
InChIKeyFRCZPFBXYIKDJJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.89
Rot. Bonds3

About [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105300373) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105300373
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N4/c1-11-15(12(2)21(6)20-11)16(19-18)13-7-9-14(10-8-13)17(3,4)5/h7-10,16,19H,18H2,1-6H3
InChIKeyFRCZPFBXYIKDJJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.89
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

[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105302308
[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304935
[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105286716
[pyridin-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105287039
[(5-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105318696
[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105322374
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
[(2-methoxy-3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 103436361
[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 114220219
[(2,4-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304512
[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203825

Frequently Asked Questions

What is the IUPAC name of [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (CID 105300373) is [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is Cc1nn(C)c(C)c1C(NN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is FRCZPFBXYIKDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-11-15(12(2)21(6)20-11)16(19-18)13-7-9-14(10-8-13)17(3,4)5/h7-10,16,19H,18H2,1-6H3.
What are the key properties of [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 286.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105300373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).