(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine

C22H28N4 — CID 124624668

IUPAC(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESC[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)c1ccnn1C
InChIInChI=1S/C22H28N4/c1-17(22-13-14-24-26(22)4)23-15-20-7-5-6-8-21(20)19-11-9-18(10-12-19)16-25(2)3/h5-14,17,23H,15-16H2,1-4H3/t17-/m0/s1
InChIKeyACEVAWLABOGBIY-KRWDZBQOSA-N
MW348.49 g/mol
LogP4.00
Rot. Bonds7

About (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine

(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 124624668) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID124624668
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESC[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)c1ccnn1C
InChIInChI=1S/C22H28N4/c1-17(22-13-14-24-26(22)4)23-15-20-7-5-6-8-21(20)19-11-9-18(10-12-19)16-25(2)3/h5-14,17,23H,15-16H2,1-4H3/t17-/m0/s1
InChIKeyACEVAWLABOGBIY-KRWDZBQOSA-N
XLogP4.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55747194
1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 106757924
(1R)-N-[(2-phenylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 69062118
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38262519
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24661105
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine
CID 167836777

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 124624668) is (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine is C[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)c1ccnn1C.
What is the InChIKey of (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is ACEVAWLABOGBIY-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4/c1-17(22-13-14-24-26(22)4)23-15-20-7-5-6-8-21(20)19-11-9-18(10-12-19)16-25(2)3/h5-14,17,23H,15-16H2,1-4H3/t17-/m0/s1.
What are the key properties of (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 348.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 124624668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).