N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide

C21H18F4N4O2 — CID 91888103

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H18F4N4O2/c22-15-6-4-13(5-7-15)18-11-19(28-27-18)29-9-8-16(12-29)26-20(30)14-2-1-3-17(10-14)31-21(23,24)25/h1-7,10-11,16H,8-9,12H2,(H,26,30)(H,27,28)
InChIKeyWPDDWTJOQGENIM-UHFFFAOYSA-N
MW434.39 g/mol
LogP4.12
Rot. Bonds5

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide (PubChem CID 91888103) has the molecular formula C21H18F4N4O2 and a molecular weight of 434.39 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide
PubChem CID91888103
Molecular FormulaC21H18F4N4O2
Molecular Weight434.39 g/mol
Exact Mass434.14
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C21H18F4N4O2/c22-15-6-4-13(5-7-15)18-11-19(28-27-18)29-9-8-16(12-29)26-20(30)14-2-1-3-17(10-14)31-21(23,24)25/h1-7,10-11,16H,8-9,12H2,(H,26,30)(H,27,28)
InChIKeyWPDDWTJOQGENIM-UHFFFAOYSA-N
XLogP4.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide 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

N-[6,6-Dimethyl-5-[(2s)-4-Methyl-2-(Phenylmethyl)piperazin-1-Yl]carbonyl-2,4-Dihydropyrrolo[3,4-C]pyrazol-3-Yl]-3-Phenoxy-Benzamide
CID 57523643
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11617466
2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 21106464
N-(5-methyl-1H-pyrazol-3-yl)-3-phenoxybenzamide
CID 2360970
3,4-diethoxy-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}benzamide
CID 75528469
N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 1044226
N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 164617379
N-[6,6-dimethyl-5-(2-phenylpiperazine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-phenoxybenzamide
CID 59508278
N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-(trifluoromethoxy)benzamide
CID 59508324
N-[6,6-dimethyl-5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-phenoxybenzamide
CID 59508348
N-[5-[(3S,8aS)-3-benzyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methoxybenzamide
CID 66738628

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide (CID 91888103) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide is O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide?
The InChIKey is WPDDWTJOQGENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2/c22-15-6-4-13(5-7-15)18-11-19(28-27-18)29-9-8-16(12-29)26-20(30)14-2-1-3-17(10-14)31-21(23,24)25/h1-7,10-11,16H,8-9,12H2,(H,26,30)(H,27,28).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide has a molecular weight of 434.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 91888103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).