N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine

C17H26N4 — CID 105347517

IUPACN-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
SMILESCNCC(C)c1ccc(CN(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C17H26N4/c1-14(9-18-2)17-7-5-15(6-8-17)11-20(3)12-16-10-19-21(4)13-16/h5-8,10,13-14,18H,9,11-12H2,1-4H3
InChIKeyQWFQZDFHTUWTAG-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.38
Rot. Bonds7

About N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine

N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine (PubChem CID 105347517) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
PubChem CID105347517
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
SMILESCNCC(C)c1ccc(CN(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C17H26N4/c1-14(9-18-2)17-7-5-15(6-8-17)11-20(3)12-16-10-19-21(4)13-16/h5-8,10,13-14,18H,9,11-12H2,1-4H3
InChIKeyQWFQZDFHTUWTAG-UHFFFAOYSA-N
XLogP2.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347516
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
CID 104501541
N-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208786
1-(4-ethylphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438554
2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346970
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine?
The IUPAC name of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine (CID 105347517) is N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine?
The canonical SMILES for N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine is CNCC(C)c1ccc(CN(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine?
The InChIKey is QWFQZDFHTUWTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-14(9-18-2)17-7-5-15(6-8-17)11-20(3)12-16-10-19-21(4)13-16/h5-8,10,13-14,18H,9,11-12H2,1-4H3.
What are the key properties of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine?
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).