N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C8H10ClF3N4O — CID 19620792

IUPACN-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H10ClF3N4O/c9-5-3-16(4-6(17)14-2-1-13)15-7(5)8(10,11)12/h3H,1-2,4,13H2,(H,14,17)
InChIKeyKULAAMJLDIJBAX-UHFFFAOYSA-N
MW270.64 g/mol
LogP0.63
Rot. Bonds4

About N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19620792) has the molecular formula C8H10ClF3N4O and a molecular weight of 270.64 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19620792
Molecular FormulaC8H10ClF3N4O
Molecular Weight270.64 g/mol
Exact Mass270.05
IUPAC NameN-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H10ClF3N4O/c9-5-3-16(4-6(17)14-2-1-13)15-7(5)8(10,11)12/h3H,1-2,4,13H2,(H,14,17)
InChIKeyKULAAMJLDIJBAX-UHFFFAOYSA-N
XLogP0.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]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

4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanamide
CID 25248320
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71844374
(2S)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164632461
2-[4-[(Propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194073
2-[4-(Aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194078
2-[4-(Ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194084
2-[4-(Methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194092
2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 163220331
2-(4-chloropyrazol-1-yl)-N-(4,4-difluorobut-3-enyl)acetamide
CID 163220333
2-(4-Chloro-3-methylpyrazolyl)propanohydrazide
CID 17024605
2-[[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylazanium
CID 7017756

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19620792) is N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide is NCCNC(=O)Cn1cc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is KULAAMJLDIJBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4O/c9-5-3-16(4-6(17)14-2-1-13)15-7(5)8(10,11)12/h3H,1-2,4,13H2,(H,14,17).
What are the key properties of N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 270.64 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19620792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).