4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline

C14H21N5O — CID 105339001

IUPAC4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline
SMILESCOc1cnn(C)c1C(NN)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N5O/c1-18(2)11-7-5-10(6-8-11)13(17-15)14-12(20-4)9-16-19(14)3/h5-9,13,17H,15H2,1-4H3
InChIKeyFJMYHYKSDSJBAW-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.05
Rot. Bonds5

About 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline

4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline (PubChem CID 105339001) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline
PubChem CID105339001
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline
SMILESCOc1cnn(C)c1C(NN)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N5O/c1-18(2)11-7-5-10(6-8-11)13(17-15)14-12(20-4)9-16-19(14)3/h5-9,13,17H,15H2,1-4H3
InChIKeyFJMYHYKSDSJBAW-UHFFFAOYSA-N
XLogP1.05
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(6-chloro-3-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105253115
[(2,6-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339134
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339114
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 114646478
[(3-ethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105192015
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339123
[(3-ethylthiophen-2-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339015
[(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339022
1-(4-ethylsulfanylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 106848978

Frequently Asked Questions

What is the IUPAC name of 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline (CID 105339001) is 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline is COc1cnn(C)c1C(NN)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
The InChIKey is FJMYHYKSDSJBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(2)11-7-5-10(6-8-11)13(17-15)14-12(20-4)9-16-19(14)3/h5-9,13,17H,15H2,1-4H3.
What are the key properties of 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline?
4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline has a molecular weight of 275.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105339001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).