2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C14H18N4O — CID 106212825

IUPAC2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1CN)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-10(13-8-16-17-9-13)18-14(19)6-11-4-2-3-5-12(11)7-15/h2-5,8-10H,6-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLTYAHWCTAFHFU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 106212825) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID106212825
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1CN)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-10(13-8-16-17-9-13)18-14(19)6-11-4-2-3-5-12(11)7-15/h2-5,8-10H,6-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLTYAHWCTAFHFU-UHFFFAOYSA-N
XLogP1.29
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 106212825) is 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)Cc1ccccc1CN)c1cn[nH]c1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is JLTYAHWCTAFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(13-8-16-17-9-13)18-14(19)6-11-4-2-3-5-12(11)7-15/h2-5,8-10H,6-7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.29, 5 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-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 106212825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).