1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone

C20H19F3N6O — CID 146402509

IUPAC1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1)N1CCCC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)14-7-9-15(10-8-14)24-17-6-2-1-5-16(17)19-25-27-29(26-19)13-18(30)28-11-3-4-12-28/h1-2,5-10,24H,3-4,11-13H2
InChIKeyNIVMRGTUXBVIMG-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.72
Rot. Bonds5

About 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone

1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone (PubChem CID 146402509) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
PubChem CID146402509
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1)N1CCCC1
InChIInChI=1S/C20H19F3N6O/c21-20(22,23)14-7-9-15(10-8-14)24-17-6-2-1-5-16(17)19-25-27-29(26-19)13-18(30)28-11-3-4-12-28/h1-2,5-10,24H,3-4,11-13H2
InChIKeyNIVMRGTUXBVIMG-UHFFFAOYSA-N
XLogP3.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone with MolForge

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Related Compounds

1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]ethanone
CID 3438303
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
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Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
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CID 650750
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
CID 652670
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 1132849
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787
1-Cyclopropyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone
CID 135372020
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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone (CID 146402509) is 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone?
The InChIKey is NIVMRGTUXBVIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c21-20(22,23)14-7-9-15(10-8-14)24-17-6-2-1-5-16(17)19-25-27-29(26-19)13-18(30)28-11-3-4-12-28/h1-2,5-10,24H,3-4,11-13H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone?
1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone has a molecular weight of 416.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 146402509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).