N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

C15H21N5O — CID 61438483

IUPACN-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(CN)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H21N5O/c1-19(9-13-8-17-20(2)10-13)11-15(21)18-14-5-3-4-12(6-14)7-16/h3-6,8,10H,7,9,11,16H2,1-2H3,(H,18,21)
InChIKeyYEYMLDLLHQTFBT-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.95
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 61438483) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID61438483
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(CN)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H21N5O/c1-19(9-13-8-17-20(2)10-13)11-15(21)18-14-5-3-4-12(6-14)7-16/h3-6,8,10H,7,9,11,16H2,1-2H3,(H,18,21)
InChIKeyYEYMLDLLHQTFBT-UHFFFAOYSA-N
XLogP0.95
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61422115
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
ethyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]benzoate
CID 22196150
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196125
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196148
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 22194265

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 61438483) is N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is CN(CC(=O)Nc1cccc(CN)c1)Cc1cnn(C)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is YEYMLDLLHQTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(9-13-8-17-20(2)10-13)11-15(21)18-14-5-3-4-12(6-14)7-16/h3-6,8,10H,7,9,11,16H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 61438483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).