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

C13H19N5 — CID 105288676

IUPAC3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(NN)c2cnn(C)c2)c1
InChIInChI=1S/C13H19N5/c1-17(2)12-6-4-5-10(7-12)13(16-14)11-8-15-18(3)9-11/h4-9,13,16H,14H2,1-3H3
InChIKeyRFUCIESUCVCVKU-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.04
Rot. Bonds4

About 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline

3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline (PubChem CID 105288676) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline
PubChem CID105288676
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(NN)c2cnn(C)c2)c1
InChIInChI=1S/C13H19N5/c1-17(2)12-6-4-5-10(7-12)13(16-14)11-8-15-18(3)9-11/h4-9,13,16H,14H2,1-3H3
InChIKeyRFUCIESUCVCVKU-UHFFFAOYSA-N
XLogP1.04
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.04
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

3-[hydrazinyl(phenyl)methyl]-N,N-dimethylaniline
CID 105282900
[(1-methylpyrazol-4-yl)-(3-propylphenyl)methyl]hydrazine
CID 105228480
3-[(4-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105284037
[(3,5-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228493
3-[(3-ethylphenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105326250
[(4-methoxy-3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105258318
3-[furan-2-yl(hydrazinyl)methyl]-N,N-dimethylaniline
CID 105305991
[(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228610
[(1-methylpyrazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105288719
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288642
N,N-dimethyl-3-[methylamino-(2-methylpyrazol-3-yl)methyl]aniline
CID 105148624
[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228332

Frequently Asked Questions

What is the IUPAC name of 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline (CID 105288676) is 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(NN)c2cnn(C)c2)c1.
What is the InChIKey of 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
The InChIKey is RFUCIESUCVCVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17(2)12-6-4-5-10(7-12)13(16-14)11-8-15-18(3)9-11/h4-9,13,16H,14H2,1-3H3.
What are the key properties of 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline?
3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline has a molecular weight of 245.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl-(1-methylpyrazol-4-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105288676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).