N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline

C15H22N4 — CID 75402177

IUPACN,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-17(2)15-7-5-13(6-8-15)10-18(3)11-14-9-16-19(4)12-14/h5-9,12H,10-11H2,1-4H3
InChIKeyUGBKCVXNLONSFL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.12
Rot. Bonds5

About N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline

N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline (PubChem CID 75402177) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
PubChem CID75402177
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-17(2)15-7-5-13(6-8-15)10-18(3)11-14-9-16-19(4)12-14/h5-9,12H,10-11H2,1-4H3
InChIKeyUGBKCVXNLONSFL-UHFFFAOYSA-N
XLogP2.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
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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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347516
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208786
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105347517
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
2-bromo-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 115557082
N-ethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208787
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline (CID 75402177) is N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline is CN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)c1.
What is the InChIKey of N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline?
The InChIKey is UGBKCVXNLONSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-17(2)15-7-5-13(6-8-15)10-18(3)11-14-9-16-19(4)12-14/h5-9,12H,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline?
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 75402177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).