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

C13H18N4 — CID 105282920

IUPAC[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccccc1
InChIInChI=1S/C13H18N4/c1-9-12(10(2)17(3)16-9)13(15-14)11-7-5-4-6-8-11/h4-8,13,15H,14H2,1-3H3
InChIKeyMMLKUULSQWSENT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.59
Rot. Bonds3

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

[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105282920) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105282920
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccccc1
InChIInChI=1S/C13H18N4/c1-9-12(10(2)17(3)16-9)13(15-14)11-7-5-4-6-8-11/h4-8,13,15H,14H2,1-3H3
InChIKeyMMLKUULSQWSENT-UHFFFAOYSA-N
XLogP1.59
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.59
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

N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
[pyridin-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105287039
[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105300373
[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105302308
[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105286716
[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304935
[(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
[(2-methoxy-3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 103436361
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
[(2,4-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304512
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073

Frequently Asked Questions

What is the IUPAC name of [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (CID 105282920) is [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is Cc1nn(C)c(C)c1C(NN)c1ccccc1.
What is the InChIKey of [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is MMLKUULSQWSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-12(10(2)17(3)16-9)13(15-14)11-7-5-4-6-8-11/h4-8,13,15H,14H2,1-3H3.
What are the key properties of [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 230.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).