N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide

C15H18F3N3O — CID 70516276

IUPACN-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
SMILESCCCN(C(C)=O)C1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3N3O/c1-3-8-20(11(2)22)14-7-9-21(19-14)13-6-4-5-12(10-13)15(16,17)18/h4-6,10H,3,7-9H2,1-2H3
InChIKeyIHUPKPQWKRGSMR-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.49
Rot. Bonds3

About N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide

N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide (PubChem CID 70516276) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
PubChem CID70516276
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
SMILESCCCN(C(C)=O)C1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3N3O/c1-3-8-20(11(2)22)14-7-9-21(19-14)13-6-4-5-12(10-13)15(16,17)18/h4-6,10H,3,7-9H2,1-2H3
InChIKeyIHUPKPQWKRGSMR-UHFFFAOYSA-N
XLogP3.49
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-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

4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
CID 47795
1-(azepan-1-yl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine
CID 2337630
N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide
CID 2861676
N,N-Dimethyl-N'-[1-(3-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-formamidine
CID 3104189
5-Methyl-2-(3-trifluoromethyl-phenyl)-2,4-dihydro-pyrazol-3-one
CID 223120
N,N-Diethyl-N'-[1-(3-trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-formamidine
CID 2843464
N,N-bis(2-hydroxyethyl)-N'-{1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}imidoformamide
CID 3900567
2-Methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-ium-5-amine
CID 2853877
2,5-Diethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
CID 172444079
5-Ethyl-2-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
CID 172453856
4-[4-Fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1,2,4-triazol-3-one
CID 172457710
3-Amino-1-(3-(trifluoromethyl)phenyl)-2-pyrazoline hydrochloride
CID 3018746

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
The IUPAC name of N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide (CID 70516276) is N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide.
What is the SMILES notation for N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
The canonical SMILES for N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide is CCCN(C(C)=O)C1=NN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
The InChIKey is IHUPKPQWKRGSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-3-8-20(11(2)22)14-7-9-21(19-14)13-6-4-5-12(10-13)15(16,17)18/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide is sourced from PubChem (CID 70516276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).