2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

C14H18N4O — CID 104618675

IUPAC2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)Cc2ccccc2CN)c1C
InChIInChI=1S/C14H18N4O/c1-9-10(2)17-18-14(9)16-13(19)7-11-5-3-4-6-12(11)8-15/h3-6H,7-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyNVSPAYQZTIDHNK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.67
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104618675) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID104618675
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)Cc2ccccc2CN)c1C
InChIInChI=1S/C14H18N4O/c1-9-10(2)17-18-14(9)16-13(19)7-11-5-3-4-6-12(11)8-15/h3-6H,7-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyNVSPAYQZTIDHNK-UHFFFAOYSA-N
XLogP1.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
CID 115594855
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-pyridin-2-ylacetamide
CID 104620045
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 86848927
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 115594830
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide
CID 29209063
2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 81317594
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
N-[2-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-N-methylbenzamide
CID 115610254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 104618675) is 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is Cc1[nH]nc(NC(=O)Cc2ccccc2CN)c1C.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is NVSPAYQZTIDHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-10(2)17-18-14(9)16-13(19)7-11-5-3-4-6-12(11)8-15/h3-6H,7-8,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104618675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).