4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline

C15H22N4 — CID 19626527

IUPAC4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline
SMILESCc1nn(C)cc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N4/c1-12-14(11-19(4)17-12)10-16-9-13-5-7-15(8-6-13)18(2)3/h5-8,11,16H,9-10H2,1-4H3
InChIKeyCEYOJTKTZOJEAO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.08
Rot. Bonds5

About 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline

4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline (PubChem CID 19626527) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline
PubChem CID19626527
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline
SMILESCc1nn(C)cc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N4/c1-12-14(11-19(4)17-12)10-16-9-13-5-7-15(8-6-13)18(2)3/h5-8,11,16H,9-10H2,1-4H3
InChIKeyCEYOJTKTZOJEAO-UHFFFAOYSA-N
XLogP2.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline (CID 19626527) is 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline is Cc1nn(C)cc1CNCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is CEYOJTKTZOJEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-14(11-19(4)17-12)10-16-9-13-5-7-15(8-6-13)18(2)3/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline?
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 258.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 19626527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).