[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

C12H14F3N7O — CID 154847972

IUPAC[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nn[nH]n3)C2)n(CC(F)(F)F)n1
InChIInChI=1S/C12H14F3N7O/c1-7-4-9(22(18-7)6-12(13,14)15)11(23)21-3-2-8(5-21)10-16-19-20-17-10/h4,8H,2-3,5-6H2,1H3,(H,16,17,19,20)
InChIKeyWHJRYSNWRFVWED-UHFFFAOYSA-N
MW329.29 g/mol
LogP0.90
Rot. Bonds3

About [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 154847972) has the molecular formula C12H14F3N7O and a molecular weight of 329.29 g/mol. Its IUPAC name is [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID154847972
Molecular FormulaC12H14F3N7O
Molecular Weight329.29 g/mol
Exact Mass329.12
IUPAC Name[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nn[nH]n3)C2)n(CC(F)(F)F)n1
InChIInChI=1S/C12H14F3N7O/c1-7-4-9(22(18-7)6-12(13,14)15)11(23)21-3-2-8(5-21)10-16-19-20-17-10/h4,8H,2-3,5-6H2,1H3,(H,16,17,19,20)
InChIKeyWHJRYSNWRFVWED-UHFFFAOYSA-N
XLogP0.90
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone 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

2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 167851854
1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 154843219
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77113272
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 164639816
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-fluorobenzonitrile
CID 138745385
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 166320388

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (CID 154847972) is [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3nn[nH]n3)C2)n(CC(F)(F)F)n1.
What is the InChIKey of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WHJRYSNWRFVWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N7O/c1-7-4-9(22(18-7)6-12(13,14)15)11(23)21-3-2-8(5-21)10-16-19-20-17-10/h4,8H,2-3,5-6H2,1H3,(H,16,17,19,20).
What are the key properties of [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 329.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154847972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).