N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine

C16H24N4 — CID 97230507

IUPACN'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESC[C@H](NCCN(C)Cc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H24N4/c1-14(16-11-18-20(3)13-16)17-9-10-19(2)12-15-7-5-4-6-8-15/h4-8,11,13-14,17H,9-10,12H2,1-3H3/t14-/m0/s1
InChIKeyYSUUUCHZYNZCIC-AWEZNQCLSA-N
MW272.40 g/mol
LogP2.20
Rot. Bonds7

About N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine

N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 97230507) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
PubChem CID97230507
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
SMILESC[C@H](NCCN(C)Cc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H24N4/c1-14(16-11-18-20(3)13-16)17-9-10-19(2)12-15-7-5-4-6-8-15/h4-8,11,13-14,17H,9-10,12H2,1-3H3/t14-/m0/s1
InChIKeyYSUUUCHZYNZCIC-AWEZNQCLSA-N
XLogP2.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N'-benzyl-N-(1,1-difluoropropan-2-yl)-N'-methylethane-1,2-diamine
CID 130863316
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43126047
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 77091082
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 95772431
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 115713690

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine (CID 97230507) is N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine is C[C@H](NCCN(C)Cc1ccccc1)c1cnn(C)c1.
What is the InChIKey of N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is YSUUUCHZYNZCIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4/c1-14(16-11-18-20(3)13-16)17-9-10-19(2)12-15-7-5-4-6-8-15/h4-8,11,13-14,17H,9-10,12H2,1-3H3/t14-/m0/s1.
What are the key properties of N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine?
N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 97230507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).