(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C16H22N4O — CID 95772431

IUPAC(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1cnn(C)c1)N(C)Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(19(2)11-14-7-5-4-6-8-14)16(21)17-9-15-10-18-20(3)12-15/h4-8,10,12-13H,9,11H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyLBHYTKUFYUCNAF-ZDUSSCGKSA-N
MW286.38 g/mol
LogP1.56
Rot. Bonds6

About (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 95772431) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID95772431
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1cnn(C)c1)N(C)Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(19(2)11-14-7-5-4-6-8-14)16(21)17-9-15-10-18-20(3)12-15/h4-8,10,12-13H,9,11H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyLBHYTKUFYUCNAF-ZDUSSCGKSA-N
XLogP1.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111719775
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
[4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamic acid
CID 170170313
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 62035251

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 95772431) is (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is C[C@@H](C(=O)NCc1cnn(C)c1)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is LBHYTKUFYUCNAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(19(2)11-14-7-5-4-6-8-14)16(21)17-9-15-10-18-20(3)12-15/h4-8,10,12-13H,9,11H2,1-3H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
(2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(methyl)amino]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 95772431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).