[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine

C13H18N4O — CID 62244686

IUPAC[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine
SMILESCc1cccc(OCc2c(C)nn(C)c2NN)c1
InChIInChI=1S/C13H18N4O/c1-9-5-4-6-11(7-9)18-8-12-10(2)16-17(3)13(12)15-14/h4-7,15H,8,14H2,1-3H3
InChIKeyIICVRCFFAFYGAY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.90
Rot. Bonds4

About [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine

[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine (PubChem CID 62244686) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine.

Molecular Properties

Compound Name[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine
PubChem CID62244686
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine
SMILESCc1cccc(OCc2c(C)nn(C)c2NN)c1
InChIInChI=1S/C13H18N4O/c1-9-5-4-6-11(7-9)18-8-12-10(2)16-17(3)13(12)15-14/h4-7,15H,8,14H2,1-3H3
InChIKeyIICVRCFFAFYGAY-UHFFFAOYSA-N
XLogP1.90
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.90
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

[4-(methoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62245433
4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55045017
[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
N,5-dimethyl-4-[(3-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488211
3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
CID 64764360
1,3-dimethyl-4-[(4-methylphenoxy)methyl]pyrazol-5-amine
CID 62195674
4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
CID 62194237
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
[3-[(3-methylphenyl)methoxy]phenyl]hydrazine
CID 82081355
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine?
The IUPAC name of [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine (CID 62244686) is [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine.
What is the SMILES notation for [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine?
The canonical SMILES for [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine is Cc1cccc(OCc2c(C)nn(C)c2NN)c1.
What is the InChIKey of [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine?
The InChIKey is IICVRCFFAFYGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-4-6-11(7-9)18-8-12-10(2)16-17(3)13(12)15-14/h4-7,15H,8,14H2,1-3H3.
What are the key properties of [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine?
[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine has a molecular weight of 246.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine is sourced from PubChem (CID 62244686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).