N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide

C16H22N4O — CID 61226146

IUPACN-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2cccc(CN)c2)c(C)c1C
InChIInChI=1S/C16H22N4O/c1-10-11(2)19-20(12(10)3)13(4)16(21)18-15-7-5-6-14(8-15)9-17/h5-8,13H,9,17H2,1-4H3,(H,18,21)
InChIKeyYMYPWIDPOWYNKI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.47
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 61226146) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID61226146
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2cccc(CN)c2)c(C)c1C
InChIInChI=1S/C16H22N4O/c1-10-11(2)19-20(12(10)3)13(4)16(21)18-15-7-5-6-14(8-15)9-17/h5-8,13H,9,17H2,1-4H3,(H,18,21)
InChIKeyYMYPWIDPOWYNKI-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668137
N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581196
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528547
N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81095450
(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
CID 94133466
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 16793312
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
CID 8741284
(2S)-N-(3-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 823261

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 61226146) is N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(C(C)C(=O)Nc2cccc(CN)c2)c(C)c1C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is YMYPWIDPOWYNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-11(2)19-20(12(10)3)13(4)16(21)18-15-7-5-6-14(8-15)9-17/h5-8,13H,9,17H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 61226146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).