N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide

C14H18N4O — CID 84761606

IUPACN-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
SMILESCCn1nc(-c2cccc(NC(C)=O)c2)cc1CN
InChIInChI=1S/C14H18N4O/c1-3-18-13(9-15)8-14(17-18)11-5-4-6-12(7-11)16-10(2)19/h4-8H,3,9,15H2,1-2H3,(H,16,19)
InChIKeyJHWNYLQQEFZDSH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds4

About N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide

N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide (PubChem CID 84761606) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
PubChem CID84761606
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
SMILESCCn1nc(-c2cccc(NC(C)=O)c2)cc1CN
InChIInChI=1S/C14H18N4O/c1-3-18-13(9-15)8-14(17-18)11-5-4-6-12(7-11)16-10(2)19/h4-8H,3,9,15H2,1-2H3,(H,16,19)
InChIKeyJHWNYLQQEFZDSH-UHFFFAOYSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761577
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665621
N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
CID 39773386
tert-butyl N-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]carbamate
CID 117465922
4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one
CID 82444722
N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide
CID 84760541
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide (CID 84761606) is N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide is CCn1nc(-c2cccc(NC(C)=O)c2)cc1CN.
What is the InChIKey of N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide?
The InChIKey is JHWNYLQQEFZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18-13(9-15)8-14(17-18)11-5-4-6-12(7-11)16-10(2)19/h4-8H,3,9,15H2,1-2H3,(H,16,19).
What are the key properties of N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide?
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 84761606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).