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

C14H16F3N3O — CID 70516275

IUPACN-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
SMILESCCN(C(C)=O)C1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F3N3O/c1-3-19(10(2)21)13-7-8-20(18-13)12-6-4-5-11(9-12)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3
InChIKeyVCQVEKNIQGZYLU-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.10
Rot. Bonds2

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

N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide (PubChem CID 70516275) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
PubChem CID70516275
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
SMILESCCN(C(C)=O)C1=NN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F3N3O/c1-3-19(10(2)21)13-7-8-20(18-13)12-6-4-5-11(9-12)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3
InChIKeyVCQVEKNIQGZYLU-UHFFFAOYSA-N
XLogP3.10
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 142916061
N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide
CID 2843464
N-[2-[3,5-bis(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]-N-methylformamide
CID 88724554
6-methyl-3-(4-propanoyl-1,4-diazepane-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 60538577
(3R)-5-ethoxycarbonyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3-carboxylic acid
CID 95657292
5-ethoxycarbonyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3-carboxylic acid
CID 75358007
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 82362503
6-acetyl-3-oxo-2-[3-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid
CID 100785698
N-ethyl-5-methyl-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55513631
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130411
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
The IUPAC name of N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide (CID 70516275) is N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
The canonical SMILES for N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide is CCN(C(C)=O)C1=NN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
The InChIKey is VCQVEKNIQGZYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-3-19(10(2)21)13-7-8-20(18-13)12-6-4-5-11(9-12)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide?
N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide has a molecular weight of 299.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide is sourced from PubChem (CID 70516275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).