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

C24H29F3N4O2 — CID 139633805

IUPAC2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C2=NN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2N(C)CC)cc1
InChIInChI=1S/C24H29F3N4O2/c1-4-14-33-20-12-6-17(7-13-20)23-21(30(3)5-2)15-31(29-23)16-22(32)28-19-10-8-18(9-11-19)24(25,26)27/h6-13,21H,4-5,14-16H2,1-3H3,(H,28,32)
InChIKeyMEDGZTKNAMRKPM-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.47
Rot. Bonds9

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

2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 139633805) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID139633805
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C2=NN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2N(C)CC)cc1
InChIInChI=1S/C24H29F3N4O2/c1-4-14-33-20-12-6-17(7-13-20)23-21(30(3)5-2)15-31(29-23)16-22(32)28-19-10-8-18(9-11-19)24(25,26)27/h6-13,21H,4-5,14-16H2,1-3H3,(H,28,32)
InChIKeyMEDGZTKNAMRKPM-UHFFFAOYSA-N
XLogP4.47
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)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

5-(4-propoxyphenyl)-4-(propylamino)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980999
N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628081
methyl N-[5-(4-chlorophenyl)-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-3,4-dihydropyrazol-4-yl]-N-prop-2-ynylcarbamate
CID 139633786
N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7662101
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
CID 139656805
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628072
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3229501
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 139633805) is 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C2=NN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2N(C)CC)cc1.
What is the InChIKey of 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MEDGZTKNAMRKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-4-14-33-20-12-6-17(7-13-20)23-21(30(3)5-2)15-31(29-23)16-22(32)28-19-10-8-18(9-11-19)24(25,26)27/h6-13,21H,4-5,14-16H2,1-3H3,(H,28,32).
What are the key properties of 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 462.52 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139633805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).