methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate

C17H17FN6O2 — CID 51130787

IUPACmethyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate
SMILESCOC(=O)Cc1nnn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)n1
InChIInChI=1S/C17H17FN6O2/c1-26-17(25)9-16-19-22-23(21-16)10-14-13-3-2-4-15(13)24(20-14)12-7-5-11(18)6-8-12/h5-8H,2-4,9-10H2,1H3
InChIKeyWCZAIURYJXKPNK-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.25
Rot. Bonds5

About methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate

methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate (PubChem CID 51130787) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate
PubChem CID51130787
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Namemethyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate
SMILESCOC(=O)Cc1nnn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)n1
InChIInChI=1S/C17H17FN6O2/c1-26-17(25)9-16-19-22-23(21-16)10-14-13-3-2-4-15(13)24(20-14)12-7-5-11(18)6-8-12/h5-8H,2-4,9-10H2,1H3
InChIKeyWCZAIURYJXKPNK-UHFFFAOYSA-N
XLogP1.25
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate?
The IUPAC name of methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate (CID 51130787) is methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate is COC(=O)Cc1nnn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)n1.
What is the InChIKey of methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate?
The InChIKey is WCZAIURYJXKPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-26-17(25)9-16-19-22-23(21-16)10-14-13-3-2-4-15(13)24(20-14)12-7-5-11(18)6-8-12/h5-8H,2-4,9-10H2,1H3.
What are the key properties of methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate?
methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate has a molecular weight of 356.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]tetrazol-5-yl]acetate is sourced from PubChem (CID 51130787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).